Cas no 6431-92-1 (Propanoic acid, 2-(acetylthio)-)
6431-92-1 structure
Product Name:Propanoic acid, 2-(acetylthio)-
CAS No:6431-92-1
MF:C5H8O3S
MW:148.180220603943
CID:424086
PubChem ID:13599129
Update Time:2025-04-19
Propanoic acid, 2-(acetylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-(acetylthio)-
- 2-acetylsulfanylpropanoic acid
- AKOS006376656
- 2-(acetylsulfanyl)propanoic acid
- 6431-92-1
- SCHEMBL6896886
- 2-(acetylthio)propionic acid
- DTXSID60544713
- S-acetyl-mercaptopropionic Acid
- SQFDPVZBYCOAJO-UHFFFAOYSA-N
-
- Inchi： 1S/C5H8O3S/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)
- InChI Key： SQFDPVZBYCOAJO-UHFFFAOYSA-N
- SMILES： S(C(C)=O)C(C(=O)O)C
Computed Properties
- Exact Mass: 148.01944
- Monoisotopic Mass: 148.01941529g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 132
- 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: 0.7
- Topological Polar Surface Area: 79.7?2
Experimental Properties
- PSA: 54.37
Propanoic acid, 2-(acetylthio)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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