CAS RN: 10218-87-8
CAS Name: N-bromomethanamine
OPENEYE Name: N-bromomethanamine
IUPAC Name: N-bromomethanamine
SYSTEMATIC NAME: N-bromanylmethanamine
MOLECULAR FORMULA: CH4BrN
MOLECULAR WEIGHT: 109.95316
SMILES: CNBr
Structure:
CAS RN: 10218-83-4
CAS Name: N,N-dibromomethanamine
OPENEYE Name: N,N-dibromomethanamine
IUPAC Name: N,N-dibromomethanamine
SYSTEMATIC NAME: N,N-bis(bromanyl)methanamine
MOLECULAR FORMULA: CH3Br2N
MOLECULAR WEIGHT: 188.84922
SMILES: CN(Br)Br
Structure:
CAS RN: 10218-02-7
CAS Name: 7-bicyclo[2.2.1]heptanone
OPENEYE Name: norbornan-7-one
IUPAC Name: bicyclo[2.2.1]heptan-7-one
SYSTEMATIC NAME: bicyclo[2.2.1]heptan-7-one
MOLECULAR FORMULA: C7H10O
MOLECULAR WEIGHT: 110.1537
SMILES: C1CC2CCC1C2=O
Structure:
CAS RN: 10203-30-2
CAS Name: 3-dodecanol
OPENEYE Name: dodecan-3-ol
IUPAC Name: dodecan-3-ol
SYSTEMATIC NAME: dodecan-3-ol
MOLECULAR FORMULA: C12H26O
MOLECULAR WEIGHT: 186.33424
SMILES: CCCCCCCCCC(CC)O
Structure:
CAS RN: 10202-75-2
CAS Name: 4-prop-2-enyl-4-hepta-1,6-dienol
OPENEYE Name: 4-allylhepta-1,6-dien-4-ol
IUPAC Name: 4-prop-2-enylhepta-1,6-dien-4-ol
SYSTEMATIC NAME: 4-prop-2-enylhepta-1,6-dien-4-ol
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: C=CCC(CC=C)(CC=C)O
Structure:
CAS RN: 10199-68-5
CAS Name: 4-phenyl-1H-pyrazole
OPENEYE Name: 4-phenyl-1H-pyrazole
IUPAC Name: 4-phenyl-1H-pyrazole
SYSTEMATIC NAME: 4-phenyl-1H-pyrazole
MOLECULAR FORMULA: C9H8N2
MOLECULAR WEIGHT: 144.17322
SMILES: C1=CC=C(C=C1)C2=CNN=C2
Structure:
CAS RN: 10198-29-5
CAS Name: 2,3,3a,4,5,6,7,7a-octahydrobenzofuran
OPENEYE Name: 2,3,3a,4,5,6,7,7a-octahydrobenzofuran
IUPAC Name: 2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
SYSTEMATIC NAME: 2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: C1CCC2C(C1)CCO2
Structure:
CAS RN: 27345-70-6
CAS Name: 2,3,3a,4,5,6,7,7a-octahydrobenzofuran
OPENEYE Name: 2,3,3a,4,5,6,7,7a-octahydrobenzofuran
IUPAC Name: 2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
SYSTEMATIC NAME: 2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: C1CCC2C(C1)CCO2
Structure:
CAS RN: 10192-55-9
CAS Name: bromo(cyclohexyl)mercury
OPENEYE Name: bromo(cyclohexyl)mercury
IUPAC Name: bromo(cyclohexyl)mercury
SYSTEMATIC NAME: bromanyl(cyclohexyl)mercury
MOLECULAR FORMULA: C6H11BrHg
MOLECULAR WEIGHT: 363.64554
SMILES: C1CCC(CC1)[Hg]Br
Structure:
CAS RN: 10181-56-3
CAS Name: 2,2,4,4-tetramethylcyclobutane-1,3-dithione
OPENEYE Name: 2,2,4,4-tetramethylcyclobutane-1,3-dithione
IUPAC Name: 2,2,4,4-tetramethylcyclobutane-1,3-dithione
SYSTEMATIC NAME: 2,2,4,4-tetramethylcyclobutane-1,3-dithione
MOLECULAR FORMULA: C8H12S2
MOLECULAR WEIGHT: 172.31088
SMILES: CC1(C(=S)C(C1=S)(C)C)C
Structure:
CAS RN: 10152-75-7
CAS Name: (methylthio)ethyne
OPENEYE Name: methylsulfanylacetylene
IUPAC Name: methylsulfanylethyne
SYSTEMATIC NAME: methylsulfanylethyne
MOLECULAR FORMULA: C3H4S
MOLECULAR WEIGHT: 72.12886
SMILES: CSC#C
Structure:
CAS RN: 10150-87-5
CAS Name: acetic acid 3-oxobutyl ester
OPENEYE Name: 3-oxobutyl acetate
IUPAC Name: 3-oxobutyl acetate
SYSTEMATIC NAME: 3-oxidanylidenebutyl ethanoate
MOLECULAR FORMULA: C6H10O3
MOLECULAR WEIGHT: 130.1418
SMILES: CC(=O)CCOC(=O)C
Structure:
CAS RN: 10141-72-7
CAS Name: 2-methyloxane
OPENEYE Name: 2-methyltetrahydropyran
IUPAC Name: 2-methyloxane
SYSTEMATIC NAME: 2-methyloxane
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: CC1CCCCO1
Structure:
CAS RN: 10133-41-2
CAS Name: 2-chloro-1-benzothiophene 1,1-dioxide
OPENEYE Name: 2-chlorobenzothiophene 1,1-dioxide
IUPAC Name: 2-chloro-1-benzothiophene 1,1-dioxide
SYSTEMATIC NAME: 2-chloranyl-1-benzothiophene 1,1-dioxide
MOLECULAR FORMULA: C8H5ClO2S
MOLECULAR WEIGHT: 200.6421
SMILES: C1=CC=C2C(=C1)C=C(S2(=O)=O)Cl
Structure:
CAS RN: 10133-30-9
CAS Name: 1-benzothiophene-5-carboxaldehyde
OPENEYE Name: benzothiophene-5-carbaldehyde
IUPAC Name: 1-benzothiophene-5-carbaldehyde
SYSTEMATIC NAME: 1-benzothiophene-5-carbaldehyde
MOLECULAR FORMULA: C9H6OS
MOLECULAR WEIGHT: 162.20834
SMILES: C1=CC2=C(C=CS2)C=C1C=O
Structure:
CAS RN: 10125-18-5
CAS Name: 6-phenoxyhexoxybenzene
OPENEYE Name: 6-phenoxyhexoxybenzene
IUPAC Name: 6-phenoxyhexoxybenzene
SYSTEMATIC NAME: 6-phenoxyhexoxybenzene
MOLECULAR FORMULA: C18H22O2
MOLECULAR WEIGHT: 270.36608
SMILES: C1=CC=C(C=C1)OCCCCCCOC2=CC=CC=C2
Structure:
CAS RN: 10122-95-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H17N
MOLECULAR WEIGHT: 223.31288
SMILES: C1CC2=CC(=C(CCC3=CC=C1C=C3)C=C2)N
Structure:
CAS RN: 10100-95-5
CAS Name: 1-[(2-methylpropan-2-yl)oxy]pentane
OPENEYE Name: 1-tert-butoxypentane
IUPAC Name: 1-[(2-methylpropan-2-yl)oxy]pentane
SYSTEMATIC NAME: 1-[(2-methylpropan-2-yl)oxy]pentane
MOLECULAR FORMULA: C9H20O
MOLECULAR WEIGHT: 144.2545
SMILES: CCCCCOC(C)(C)C
Structure:
CAS RN: 10095-83-7
CAS Name: 6-cyclohepta[c]thiophenone
OPENEYE Name: cyclohepta[c]thiophen-6-one
IUPAC Name: cyclohepta[c]thiophen-6-one
SYSTEMATIC NAME: cyclohepta[c]thiophen-6-one
MOLECULAR FORMULA: C9H6OS
MOLECULAR WEIGHT: 162.20834
SMILES: C1=CC2=CSC=C2C=CC1=O
Structure:
CAS RN: 10080-39-4
CAS Name: chloro(1-cyclohexenyl)mercury
OPENEYE Name: chloro(cyclohexen-1-yl)mercury
IUPAC Name: chloro(cyclohexen-1-yl)mercury
SYSTEMATIC NAME: chloranyl(cyclohexen-1-yl)mercury
MOLECULAR FORMULA: C6H9ClHg
MOLECULAR WEIGHT: 317.17866
SMILES: C1CCC(=CC1)[Hg]Cl
Structure:
CAS RN: 10075-83-9
CAS Name: 9,10-bis(methylthio)anthracene
OPENEYE Name: 9,10-bis(methylsulfanyl)anthracene
IUPAC Name: 9,10-bis(methylsulfanyl)anthracene
SYSTEMATIC NAME: 9,10-bis(methylsulfanyl)anthracene
MOLECULAR FORMULA: C16H14S2
MOLECULAR WEIGHT: 270.41236
SMILES: CSC1=C2C=CC=CC2=C(C3=CC=CC=C31)SC
Structure:
CAS RN: 10075-77-1
CAS Name: 2,6-bis(methylthio)naphthalene
OPENEYE Name: 2,6-bis(methylsulfanyl)naphthalene
IUPAC Name: 2,6-bis(methylsulfanyl)naphthalene
SYSTEMATIC NAME: 2,6-bis(methylsulfanyl)naphthalene
MOLECULAR FORMULA: C12H12S2
MOLECULAR WEIGHT: 220.35368
SMILES: CSC1=CC2=C(C=C1)C=C(C=C2)SC
Structure:
CAS RN: 10075-73-7
CAS Name: 1,4-bis(methylthio)naphthalene
OPENEYE Name: 1,4-bis(methylsulfanyl)naphthalene
IUPAC Name: 1,4-bis(methylsulfanyl)naphthalene
SYSTEMATIC NAME: 1,4-bis(methylsulfanyl)naphthalene
MOLECULAR FORMULA: C12H12S2
MOLECULAR WEIGHT: 220.35368
SMILES: CSC1=CC=C(C2=CC=CC=C21)SC
Structure:
CAS RN: 10075-69-1
CAS Name: N1,N1,N5,N5-tetramethylnaphthalene-1,5-diamine
OPENEYE Name: N1,N1,N5,N5-tetramethylnaphthalene-1,5-diamine
IUPAC Name: 1-N,1-N,5-N,5-N-tetramethylnaphthalene-1,5-diamine
SYSTEMATIC NAME: N1,N1,N5,N5-tetramethylnaphthalene-1,5-diamine
MOLECULAR FORMULA: C14H18N2
MOLECULAR WEIGHT: 214.30612
SMILES: CN(C)C1=CC=CC2=C1C=CC=C2N(C)C
Structure:
CAS RN: 10058-38-5
CAS Name: 2-phenyl-5-thiazolecarboxylic acid
OPENEYE Name: 2-phenylthiazole-5-carboxylic acid
IUPAC Name: 2-phenyl-1,3-thiazole-5-carboxylic acid
SYSTEMATIC NAME: 2-phenyl-1,3-thiazole-5-carboxylic acid
MOLECULAR FORMULA: C10H7NO2S
MOLECULAR WEIGHT: 205.23308
SMILES: C1=CC=C(C=C1)C2=NC=C(S2)C(=O)O
Structure:
CAS RN: 10056-30-1
CAS Name: 2,6-dimethyl-4-(3-methylbutyl)morpholine
OPENEYE Name: 4-isopentyl-2,6-dimethyl-morpholine
IUPAC Name: 2,6-dimethyl-4-(3-methylbutyl)morpholine
SYSTEMATIC NAME: 2,6-dimethyl-4-(3-methylbutyl)morpholine
MOLECULAR FORMULA: C11H23NO
MOLECULAR WEIGHT: 185.30642
SMILES: CC1CN(CC(O1)C)CCC(C)C
Structure:
CAS RN: 10052-18-3
CAS Name: 4-methylbicyclo[2.2.1]heptane
OPENEYE Name: 1-methylnorbornane
IUPAC Name: 4-methylbicyclo[2.2.1]heptane
SYSTEMATIC NAME: 4-methylbicyclo[2.2.1]heptane
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: CC12CCC(C1)CC2
Structure:
CAS RN: 10052-09-2
CAS Name: N,N-dipropyl-3-pyridinecarboxamide
OPENEYE Name: N,N-dipropylpyridine-3-carboxamide
IUPAC Name: N,N-dipropylpyridine-3-carboxamide
SYSTEMATIC NAME: N,N-dipropylpyridine-3-carboxamide
MOLECULAR FORMULA: C12H18N2O
MOLECULAR WEIGHT: 206.28412
SMILES: CCCN(CCC)C(=O)C1=CN=CC=C1
Structure:
CAS RN: 10051-06-6
CAS Name: 1,1,2,3,3-pentafluoroguanidine
OPENEYE Name: 1,1,2,3,3-pentafluoroguanidine
IUPAC Name: 1,1,2,3,3-pentafluoroguanidine
SYSTEMATIC NAME: 1,1,2,3,3-pentakis(fluoranyl)guanidine
MOLECULAR FORMULA: CF5N3
MOLECULAR WEIGHT: 149.022816
SMILES: C(=NF)(N(F)F)N(F)F
Structure:
CAS RN: 10045-65-5
CAS Name: 1-(phenylmethyl)-2-imidazolecarboxaldehyde
OPENEYE Name: 1-benzylimidazole-2-carbaldehyde
IUPAC Name: 1-benzylimidazole-2-carbaldehyde
SYSTEMATIC NAME: 1-(phenylmethyl)imidazole-2-carbaldehyde
MOLECULAR FORMULA: C11H10N2O
MOLECULAR WEIGHT: 186.2099
SMILES: C1=CC=C(C=C1)CN2C=CN=C2C=O
Structure:
CAS RN: 10036-12-1
CAS Name: 4-bicyclo[3.2.2]non-2-enone
OPENEYE Name: bicyclo[3.2.2]non-2-en-4-one
IUPAC Name: bicyclo[3.2.2]non-2-en-4-one
SYSTEMATIC NAME: bicyclo[3.2.2]non-2-en-4-one
MOLECULAR FORMULA: C9H12O
MOLECULAR WEIGHT: 136.19098
SMILES: C1CC2CCC1C=CC2=O
Structure:
CAS RN: 88247-58-9
CAS Name: 3,5-dimethyl-4-[(4-methyl-1-piperazinyl)-(4-propan-2-ylphenyl)methyl]isoxazole dihydrochloride
OPENEYE Name: 4-[(4-isopropylphenyl)-(4-methylpiperazin-1-yl)methyl]-3,5-dimethyl-isoxazole dihydrochloride
IUPAC Name: 3,5-dimethyl-4-[(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methyl]-1,2-oxazole dihydrochloride
SYSTEMATIC NAME: 3,5-dimethyl-4-[(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methyl]-1,2-oxazole dihydrochloride
MOLECULAR FORMULA: C20H31Cl2N3O
MOLECULAR WEIGHT: 400.38564
SMILES: CC1=C(C(=NO1)C)C(C2=CC=C(C=C2)C(C)C)N3CCN(CC3)C.Cl.Cl
Structure:
CAS RN: 10024-18-7
CAS Name: 1-bromopropa-1,2-diene
OPENEYE Name: 1-bromoallene
IUPAC Name: 1-bromopropa-1,2-diene
SYSTEMATIC NAME: 1-bromanylpropa-1,2-diene
MOLECULAR FORMULA: C3H3Br
MOLECULAR WEIGHT: 118.95992
SMILES: C=C=CBr
Structure:
CAS RN: 10010-93-2
CAS Name: 5-methyl-3-(trifluoromethyl)-1H-pyrazole
OPENEYE Name: 5-methyl-3-(trifluoromethyl)-1H-pyrazole
IUPAC Name: 5-methyl-3-(trifluoromethyl)-1H-pyrazole
SYSTEMATIC NAME: 5-methyl-3-(trifluoromethyl)-1H-pyrazole
MOLECULAR FORMULA: C5H5F3N2
MOLECULAR WEIGHT: 150.10181
SMILES: CC1=CC(=NN1)C(F)(F)F
Structure:
CAS RN: 942060-04-0
CAS Name: 5-methyl-3-(trifluoromethyl)-1H-pyrazole
OPENEYE Name: 5-methyl-3-(trifluoromethyl)-1H-pyrazole
IUPAC Name: 5-methyl-3-(trifluoromethyl)-1H-pyrazole
SYSTEMATIC NAME: 5-methyl-3-(trifluoromethyl)-1H-pyrazole
MOLECULAR FORMULA: C5H5F3N2
MOLECULAR WEIGHT: 150.10181
SMILES: CC1=CC(=NN1)C(F)(F)F
Structure:
CAS RN: 9998-90-7
CAS Name: acetic acid 2,2,2-trinitroethyl ester
OPENEYE Name: 2,2,2-trinitroethyl acetate
IUPAC Name: 2,2,2-trinitroethyl acetate
SYSTEMATIC NAME: 2,2,2-trinitroethyl ethanoate
MOLECULAR FORMULA: C4H5N3O8
MOLECULAR WEIGHT: 223.0978
SMILES: CC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Structure:
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