Tuesday, April 3, 2012

http://ChemLookup.com Compounds




CAS RN: 32900-08-6
CAS Name: 1-cyclopropyl-3-ethylthiourea
OPENEYE Name: 1-cyclopropyl-3-ethyl-thiourea
IUPAC Name: 1-cyclopropyl-3-ethylthiourea
SYSTEMATIC NAME: 1-cyclopropyl-3-ethyl-thiourea
MOLECULAR FORMULA: C6H12N2S
MOLECULAR WEIGHT: 144.23788
SMILES: CCNC(=S)NC1CC1
Structure:

CAS RN: 1530-33-2
CAS Name: triphenyl(propan-2-yl)phosphonium bromide
OPENEYE Name: isopropyl(triphenyl)phosphonium bromide
IUPAC Name: triphenyl(propan-2-yl)phosphanium bromide
SYSTEMATIC NAME: triphenyl(propan-2-yl)phosphanium bromide
MOLECULAR FORMULA: C21H22BrP
MOLECULAR WEIGHT: 385.277141
SMILES: CC(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
Structure:

CAS RN: 3785-03-3
CAS Name: 1-methyl-2-pyridin-1-iumcarbonitrile iodide
OPENEYE Name: 1-methylpyridin-1-ium-2-carbonitrile iodide
IUPAC Name: 1-methylpyridin-1-ium-2-carbonitrile iodide
SYSTEMATIC NAME: 1-methylpyridin-1-ium-2-carbonitrile iodide
MOLECULAR FORMULA: C7H7IN2
MOLECULAR WEIGHT: 246.04835
SMILES: C[N+]1=CC=CC=C1C#N.[I-]
Structure:

CAS RN: 124276-67-1
CAS Name: 1-(4-bromophenyl)-1-cyclopropanecarbonitrile
OPENEYE Name: 1-(4-bromophenyl)cyclopropanecarbonitrile
IUPAC Name: 1-(4-bromophenyl)cyclopropane-1-carbonitrile
SYSTEMATIC NAME: 1-(4-bromophenyl)cyclopropane-1-carbonitrile
MOLECULAR FORMULA: C10H8BrN
MOLECULAR WEIGHT: 222.08122
SMILES: C1CC1(C#N)C2=CC=C(C=C2)Br
Structure:

CAS RN: 2612-26-2
CAS Name: 2-butylpropane-1,3-diol
OPENEYE Name: 2-butylpropane-1,3-diol
IUPAC Name: 2-butylpropane-1,3-diol
SYSTEMATIC NAME: 2-butylpropane-1,3-diol
MOLECULAR FORMULA: C7H16O2
MOLECULAR WEIGHT: 132.20074
SMILES: CCCCC(CO)CO
Structure:

CAS RN: 62254-74-4
CAS Name: 5-methyl-3-isoxazolecarboxaldehyde
OPENEYE Name: 5-methylisoxazole-3-carbaldehyde
IUPAC Name: 5-methyl-1,2-oxazole-3-carbaldehyde
SYSTEMATIC NAME: 5-methyl-1,2-oxazole-3-carbaldehyde
MOLECULAR FORMULA: C5H5NO2
MOLECULAR WEIGHT: 111.0987
SMILES: CC1=CC(=NO1)C=O
Structure:

CAS RN: 45515-23-9
CAS Name: (4-methyl-5-oxazolyl)methanol
OPENEYE Name: (4-methyloxazol-5-yl)methanol
IUPAC Name: (4-methyl-1,3-oxazol-5-yl)methanol
SYSTEMATIC NAME: (4-methyl-1,3-oxazol-5-yl)methanol
MOLECULAR FORMULA: C5H7NO2
MOLECULAR WEIGHT: 113.11458
SMILES: CC1=C(OC=N1)CO
Structure:

CAS RN: 14542-12-2
CAS Name: 2-thiazolylmethanol
OPENEYE Name: thiazol-2-ylmethanol
IUPAC Name: 1,3-thiazol-2-ylmethanol
SYSTEMATIC NAME: 1,3-thiazol-2-ylmethanol
MOLECULAR FORMULA: C4H5NOS
MOLECULAR WEIGHT: 115.1536
SMILES: C1=CSC(=N1)CO
Structure:

CAS RN: 3292-77-1
CAS Name: 2-bromo-1-(2-thiazolyl)ethanone
OPENEYE Name: 2-bromo-1-thiazol-2-yl-ethanone
IUPAC Name: 2-bromo-1-(1,3-thiazol-2-yl)ethanone
SYSTEMATIC NAME: 2-bromanyl-1-(1,3-thiazol-2-yl)ethanone
MOLECULAR FORMULA: C5H4BrNOS
MOLECULAR WEIGHT: 206.06036
SMILES: C1=CSC(=N1)C(=O)CBr
Structure:

CAS RN: 850375-03-0
CAS Name: 5-(bromomethyl)-1,2,3-benzothiadiazole
OPENEYE Name: 5-(bromomethyl)-1,2,3-benzothiadiazole
IUPAC Name: 5-(bromomethyl)-1,2,3-benzothiadiazole
SYSTEMATIC NAME: 5-(bromomethyl)-1,2,3-benzothiadiazole
MOLECULAR FORMULA: C7H5BrN2S
MOLECULAR WEIGHT: 229.097
SMILES: C1=CC2=C(C=C1CBr)N=NS2
Structure:

CAS RN: 82382-52-3
CAS Name: 2,1,3-benzothiadiazol-4-ylmethanamine
OPENEYE Name: 2,1,3-benzothiadiazol-4-ylmethanamine
IUPAC Name: 2,1,3-benzothiadiazol-4-ylmethanamine
SYSTEMATIC NAME: 2,1,3-benzothiadiazol-4-ylmethanamine
MOLECULAR FORMULA: C7H7N3S
MOLECULAR WEIGHT: 165.21558
SMILES: C1=CC2=NSN=C2C(=C1)CN
Structure:

CAS RN: 76644-74-1
CAS Name: 3H-isoindol-1-amine hydrochloride
OPENEYE Name: 3H-isoindol-1-amine hydrochloride
IUPAC Name: 3H-isoindol-1-amine hydrochloride
SYSTEMATIC NAME: 3H-isoindol-1-amine hydrochloride
MOLECULAR FORMULA: C8H9ClN2
MOLECULAR WEIGHT: 168.62346
SMILES: C1C2=CC=CC=C2C(=N1)N.Cl
Structure:

CAS RN: 3529-57-5
CAS Name: 2,1,3-benzothiadiazole-4-carboxylic acid
OPENEYE Name: 2,1,3-benzothiadiazole-4-carboxylic acid
IUPAC Name: 2,1,3-benzothiadiazole-4-carboxylic acid
SYSTEMATIC NAME: 2,1,3-benzothiadiazole-4-carboxylic acid
MOLECULAR FORMULA: C7H4N2O2S
MOLECULAR WEIGHT: 180.18386
SMILES: C1=CC2=NSN=C2C(=C1)C(=O)O
Structure:

CAS RN: 51642-03-6
CAS Name: 1,1-dioxo-3-thiolanamine hydrochloride
OPENEYE Name: 1,1-dioxothiolan-3-amine hydrochloride
IUPAC Name: 1,1-dioxothiolan-3-amine hydrochloride
SYSTEMATIC NAME: 1,1-bis(oxidanylidene)thiolan-3-amine hydrochloride
MOLECULAR FORMULA: C4H10ClNO2S
MOLECULAR WEIGHT: 171.6457
SMILES: C1CS(=O)(=O)CC1N.Cl
Structure:

CAS RN: 61929-24-6
CAS Name: 2-bromo-1,3,4-thiadiazole
OPENEYE Name: 2-bromo-1,3,4-thiadiazole
IUPAC Name: 2-bromo-1,3,4-thiadiazole
SYSTEMATIC NAME: 2-bromanyl-1,3,4-thiadiazole
MOLECULAR FORMULA: C2HBrN2S
MOLECULAR WEIGHT: 165.01174
SMILES: C1=NN=C(S1)Br
Structure:

CAS RN: 109299-78-7
CAS Name: 5-pyrimidinylboronic acid
OPENEYE Name: pyrimidin-5-ylboronic acid
IUPAC Name: pyrimidin-5-ylboronic acid
SYSTEMATIC NAME: pyrimidin-5-ylboronic acid
MOLECULAR FORMULA: C4H5BN2O2
MOLECULAR WEIGHT: 123.9057
SMILES: B(C1=CN=CN=C1)(O)O
Structure:

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