Cas no 63684-46-8 (3-(acetylsulfanyl)butanoic Acid)
63684-46-8 structure
Product Name:3-(acetylsulfanyl)butanoic Acid
CAS No:63684-46-8
MF:C6H10O3S
MW:162.206800937653
CID:1656712
PubChem ID:257707
Update Time:2025-04-21
3-(acetylsulfanyl)butanoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(acetylsulfanyl)butanoic Acid
- butanoic acid, 3-(acetylthio)-
- 3-(Acetylsulfanyl)butanoic acid; butanoic acid, 3-(acetylthio)-
- 63684-46-8
- CCG-40538
- BSPJWLYNHHCMDG-UHFFFAOYSA-N
- NSC-86114
- 3-acetylmercapto-butyric acid
- AKOS024332325
- NSC86114
- SCHEMBL5132296
- 3-(acetylthio)butanoic acid
-
- Inchi： 1S/C6H10O3S/c1-4(3-6(8)9)10-5(2)7/h4H,3H2,1-2H3,(H,8,9)
- InChI Key： BSPJWLYNHHCMDG-UHFFFAOYSA-N
- SMILES： S(C(C)=O)C(C)CC(=O)O
Computed Properties
- Exact Mass: 162.0351
- Monoisotopic Mass: 162.03506535g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 144
- 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: 0.6
- Topological Polar Surface Area: 79.7?2
Experimental Properties
- PSA: 54.37
- LogP: 1.12930
3-(acetylsulfanyl)butanoic Acid Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
63684-46-8 (3-(acetylsulfanyl)butanoic Acid) Related Products
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