Cas no 828936-63-6 (Propanoic acid, 3-hydroxy-2-(methylthio)-)
828936-63-6 structure
Product Name:Propanoic acid, 3-hydroxy-2-(methylthio)-
CAS No:828936-63-6
MF:C4H8O3S
MW:136.169520378113
CID:680225
PubChem ID:15720795
Update Time:2025-04-19
Propanoic acid, 3-hydroxy-2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 3-hydroxy-2-(methylthio)-
- 3-hydroxy-2-methylsulfanylpropanoic acid
- 828936-63-6
- DTXSID20577365
- 3-Hydroxy-2-(methylsulfanyl)propanoic acid
- AKOS006382706
- SCHEMBL8927813
-
- Inchi： 1S/C4H8O3S/c1-8-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
- InChI Key： OAUQEINGFLJPHQ-UHFFFAOYSA-N
- SMILES： S(C)C(C(=O)O)CO
Computed Properties
- Exact Mass: 136.01941529g/mol
- Monoisotopic Mass: 136.01941529g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 83.4
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.2
- Topological Polar Surface Area: 82.8?2
Propanoic acid, 3-hydroxy-2-(methylthio)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
828936-63-6 (Propanoic acid, 3-hydroxy-2-(methylthio)-) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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