Cas no 88277-60-5 (Pentanoic acid, 3-mercapto-4-methyl-)
88277-60-5 structure
Product Name:Pentanoic acid, 3-mercapto-4-methyl-
CAS No:88277-60-5
MF:C6H12O2S
MW:148.223280906677
CID:639074
PubChem ID:22623530
Update Time:2025-04-19
Pentanoic acid, 3-mercapto-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 3-mercapto-4-methyl-
- 4-methyl-3-sulfanylpentanoic acid
- SCHEMBL868565
- 88277-60-5
- DTXSID80627032
- AKOS006377911
-
- Inchi： 1S/C6H12O2S/c1-4(2)5(9)3-6(7)8/h4-5,9H,3H2,1-2H3,(H,7,8)
- InChI Key： HINDHEBMAYXQCL-UHFFFAOYSA-N
- SMILES： SC(CC(=O)O)C(C)C
Computed Properties
- Exact Mass: 148.05580079g/mol
- Monoisotopic Mass: 148.05580079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 101
- 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: 1.4
- Topological Polar Surface Area: 38.3?2
Pentanoic acid, 3-mercapto-4-methyl- Related Literature
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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