Saturday, April 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-(4-chlorophenyl)sulfanylacetaldehyde
CAS Name: 2-[(4-chlorophenyl)thio]acetaldehyde
IUPAC NAME: 2-(4-chlorophenyl)sulfanylacetaldehyde
SYSTEMATIC NAME: 2-(4-chlorophenyl)sulfanylethanal
MOLECULAR FORMULA: C8H7ClOS
MOLECULAR WEIGHT: 186.65858
SMILES: C1=CC(=CC=C1SCC=O)Cl
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Product OPENEYE NAME: 2-(4-bromophenyl)sulfanylacetaldehyde
CAS Name: 2-[(4-bromophenyl)thio]acetaldehyde
IUPAC NAME: 2-(4-bromophenyl)sulfanylacetaldehyde
SYSTEMATIC NAME: 2-(4-bromophenyl)sulfanylethanal
MOLECULAR FORMULA: C8H7BrOS
MOLECULAR WEIGHT: 231.10958
SMILES: C1=CC(=CC=C1SCC=O)Br
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Product OPENEYE NAME: 2-(4-methoxyphenyl)sulfanylacetaldehyde
CAS Name: 2-[(4-methoxyphenyl)thio]acetaldehyde
IUPAC NAME: 2-(4-methoxyphenyl)sulfanylacetaldehyde
SYSTEMATIC NAME: 2-(4-methoxyphenyl)sulfanylethanal
MOLECULAR FORMULA: C9H10O2S
MOLECULAR WEIGHT: 182.2395
SMILES: COC1=CC=C(C=C1)SCC=O
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Product OPENEYE NAME: 2-(4-tert-butylphenyl)sulfanylacetaldehyde
CAS Name: 2-[(4-tert-butylphenyl)thio]acetaldehyde
IUPAC NAME: 2-(4-tert-butylphenyl)sulfanylacetaldehyde
SYSTEMATIC NAME: 2-(4-tert-butylphenyl)sulfanylethanal
MOLECULAR FORMULA: C12H16OS
MOLECULAR WEIGHT: 208.31984
SMILES: CC(C)(C)C1=CC=C(C=C1)SCC=O
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Product OPENEYE NAME: amino-(diaminomethylene)-methyl-ammonium
CAS Name: amino-(diaminomethylidene)-methylammonium
IUPAC NAME: amino-(diaminomethylidene)-methylazanium
SYSTEMATIC NAME: azanyl-[bis(azanyl)methylidene]-methyl-azanium
MOLECULAR FORMULA: C2H9N4+
MOLECULAR WEIGHT: 89.11966
SMILES: C[N+](=C(N)N)N
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Product OPENEYE NAME: 2-(4-fluorophenyl)sulfanylacetaldehyde
CAS Name: 2-[(4-fluorophenyl)thio]acetaldehyde
IUPAC NAME: 2-(4-fluorophenyl)sulfanylacetaldehyde
SYSTEMATIC NAME: 2-(4-fluorophenyl)sulfanylethanal
MOLECULAR FORMULA: C8H7FOS
MOLECULAR WEIGHT: 170.203983
SMILES: C1=CC(=CC=C1F)SCC=O
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Product OPENEYE NAME: 2-[(E)-2-(2-isopropylphenyl)sulfanylethylideneamino]guanidine
CAS Name: 2-[(E)-2-[(2-propan-2-ylphenyl)thio]ethylideneamino]guanidine
IUPAC NAME: 2-[(E)-2-(2-propan-2-ylphenyl)sulfanylethylideneamino]guanidine
SYSTEMATIC NAME: 2-[(E)-2-(2-propan-2-ylphenyl)sulfanylethylideneamino]guanidine
MOLECULAR FORMULA: C12H18N4S
MOLECULAR WEIGHT: 250.36312
SMILES: CC(C)C1=CC=CC=C1SC/C=N/N=C(N)N
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Product OPENEYE NAME: 5-(2-bromoethyl)-1H-imidazole
CAS Name: 5-(2-bromoethyl)-1H-imidazole
IUPAC NAME: 5-(2-bromoethyl)-1H-imidazole
SYSTEMATIC NAME: 5-(2-bromoethyl)-1H-imidazole
MOLECULAR FORMULA: C5H7BrN2
MOLECULAR WEIGHT: 175.02648
SMILES: C1=C(NC=N1)CCBr
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Product OPENEYE NAME: 5-(2-bromoethyl)-1H-imidazole hydrobromide
CAS Name: 5-(2-bromoethyl)-1H-imidazole hydrobromide
IUPAC NAME: 5-(2-bromoethyl)-1H-imidazole hydrobromide
SYSTEMATIC NAME: 5-(2-bromoethyl)-1H-imidazole hydrobromide
MOLECULAR FORMULA: C5H8Br2N2
MOLECULAR WEIGHT: 255.93842
SMILES: C1=C(NC=N1)CCBr.Br
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Product OPENEYE NAME: 3-(bromomethyl)-5-fluoro-benzothiophene
CAS Name: 3-(bromomethyl)-5-fluoro-1-benzothiophene
IUPAC NAME: 3-(bromomethyl)-5-fluoro-1-benzothiophene
SYSTEMATIC NAME: 3-(bromomethyl)-5-fluoranyl-1-benzothiophene
MOLECULAR FORMULA: C9H6BrFS
MOLECULAR WEIGHT: 245.111343
SMILES: C1=CC2=C(C=C1F)C(=CS2)CBr
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Product OPENEYE NAME: 3-(bromomethyl)-2-chloro-benzothiophene
CAS Name: 3-(bromomethyl)-2-chloro-1-benzothiophene
IUPAC NAME: 3-(bromomethyl)-2-chloro-1-benzothiophene
SYSTEMATIC NAME: 3-(bromomethyl)-2-chloranyl-1-benzothiophene
MOLECULAR FORMULA: C9H6BrClS
MOLECULAR WEIGHT: 261.56594
SMILES: C1=CC=C2C(=C1)C(=C(S2)Cl)CBr
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Product OPENEYE NAME: 2-(bromomethyl)benzothiophene
CAS Name: 2-(bromomethyl)-1-benzothiophene
IUPAC NAME: 2-(bromomethyl)-1-benzothiophene
SYSTEMATIC NAME: 2-(bromomethyl)-1-benzothiophene
MOLECULAR FORMULA: C9H7BrS
MOLECULAR WEIGHT: 227.12088
SMILES: C1=CC=C2C(=C1)C=C(S2)CBr
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Product OPENEYE NAME: 2-(bromomethyl)-5-chloro-benzothiophene
CAS Name: 2-(bromomethyl)-5-chloro-1-benzothiophene
IUPAC NAME: 2-(bromomethyl)-5-chloro-1-benzothiophene
SYSTEMATIC NAME: 2-(bromomethyl)-5-chloranyl-1-benzothiophene
MOLECULAR FORMULA: C9H6BrClS
MOLECULAR WEIGHT: 261.56594
SMILES: C1=CC2=C(C=C1Cl)C=C(S2)CBr
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Product OPENEYE NAME: 2-[(1-propyl-1-prop-2-ynyl-but-3-ynyl)amino]phenol
CAS Name: 2-(4-propylhepta-1,6-diyn-4-ylamino)phenol
IUPAC NAME: 2-(4-propylhepta-1,6-diyn-4-ylamino)phenol
SYSTEMATIC NAME: 2-(4-propylhepta-1,6-diyn-4-ylamino)phenol
MOLECULAR FORMULA: C16H19NO
MOLECULAR WEIGHT: 241.32816
SMILES: CCCC(CC#C)(CC#C)NC1=CC=CC=C1O
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Product OPENEYE NAME: 2-ethyl-2-prop-2-ynyl-3H-1,3-benzothiazole
CAS Name: 2-ethyl-2-prop-2-ynyl-3H-1,3-benzothiazole
IUPAC NAME: 2-ethyl-2-prop-2-ynyl-3H-1,3-benzothiazole
SYSTEMATIC NAME: 2-ethyl-2-prop-2-ynyl-3H-1,3-benzothiazole
MOLECULAR FORMULA: C12H13NS
MOLECULAR WEIGHT: 203.30332
SMILES: CCC1(NC2=CC=CC=C2S1)CC#C
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Product OPENEYE NAME: 2-propa-1,2-dienyl-1,3-benzothiazole
CAS Name: 2-propa-1,2-dienyl-1,3-benzothiazole
IUPAC NAME: 2-propa-1,2-dienyl-1,3-benzothiazole
SYSTEMATIC NAME: 2-propa-1,2-dienyl-1,3-benzothiazole
MOLECULAR FORMULA: C10H7NS
MOLECULAR WEIGHT: 173.23428
SMILES: C=C=CC1=NC2=CC=CC=C2S1
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Product OPENEYE NAME: 2-diethoxyphosphorylpentan-3-one
CAS Name: 2-diethoxyphosphoryl-3-pentanone
IUPAC NAME: 2-diethoxyphosphorylpentan-3-one
SYSTEMATIC NAME: 2-diethoxyphosphorylpentan-3-one
MOLECULAR FORMULA: C9H19O4P
MOLECULAR WEIGHT: 222.218521
SMILES: CCC(=O)C(C)P(=O)(OCC)OCC
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