2-acetamido-3-[(1-oxo-2,5-dihydrothiophen-2-yl)sulfanyl]propanoic acid
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![2-acetamido-3-[(1-oxo-2,5-dihydrothiophen-2-yl)sulfanyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/252b660ab16e4bee82a44a6b78b5dc93.png "2-acetamido-3-[(1-oxo-2,5-dihydrothiophen-2-yl)sulfanyl]propanoic acid")
2-acetamido-3-[(1-oxo-2,5-dihydrothiophen-2-yl)sulfanyl]propanoic acid
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CAS No:
143773-87-9
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Formula:
C9H13NO4S2
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Chemical Name:
2-acetamido-3-[(1-oxo-2,5-dihydrothiophen-2-yl)sulfanyl]propanoic acid
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Synonyms:
2,5-dihydrothiophene sulfoxide-2-mercapturic acid;2,5-DTSMA;143773-87-9;2,5-Dtsma;2,5-Dihydrothiophene sulfoxide-2-mercapturic acid;DTXSID30932087;L-Cysteine, N-acetyl-S-(2,5-dihydro-2-thienyl)-, S-oxide;N-(1-Hydroxyethylidene)-S-(1-oxo-2,5-dihydro-1H-1lambda~4~-thiophen-2-yl)cysteine
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CAS No:
2-acetamido-3-[(1-oxo-2,5-dihydrothiophen-2-yl)sulfanyl]propanoic acid Basic Attributes
263.3 g/mol
263.02860024 g/mol
Computed Properties
Molecular Weight:263.3
XLogP3:-0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:263.02860024
Monoisotopic Mass:263.02860024
Topological Polar Surface Area:128
Heavy Atom Count:16
Complexity:342
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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