Cas no 80224-20-0 (Propanoic acid,3-mercapto-2-methyl-, sodium salt (1:1))
80224-20-0 structure
Product Name:Propanoic acid,3-mercapto-2-methyl-, sodium salt (1:1)
CAS No:80224-20-0
MF:C4H7NaO2S
MW:142.1519510746
CID:722077
PubChem ID:23662460
Update Time:2025-04-19
Propanoic acid,3-mercapto-2-methyl-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3-mercapto-2-methyl-, sodium salt (1:1)
- sodium 3-mercapto-2-methylpropionate
- sodium,2-methyl-3-sulfanylpropanoate
- DTXSID201001106
- NS00090191
- 80224-20-0
- SCHEMBL9118217
- sodium 2-methyl-3-sulfanylpropanoate
- EINECS 279-421-9
- AKOS015898844
-
- Inchi： 1S/C4H8O2S.Na/c1-3(2-7)4(5)6;/h3,7H,2H2,1H3,(H,5,6);/q;+1/p-1
- InChI Key： FOTPRJUNQGWLCM-UHFFFAOYSA-M
- SMILES： SCC(C(=O)[O-])C.[Na+]
Computed Properties
- Exact Mass: 142.00644492g/mol
- Monoisotopic Mass: 142.00644492g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 76.4
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 41.1?2
Propanoic acid,3-mercapto-2-methyl-, sodium salt (1:1) Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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