Cas no 30232-12-3 (Propanoic acid,mercapto-)
Propanoic acid,mercapto- structure
Product Name:Propanoic acid,mercapto-
CAS No:30232-12-3
MF:C3H6O2S
MW:106.143539905548
CID:308158
Update Time:2024-01-28
Propanoic acid,mercapto- Chemical and Physical Properties
Names and Identifiers
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- Propanoic acid,mercapto-
- Mercaptopropionic acid
- Propionicacid, mercapto- (7CI)
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- Inchi： 1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)
- InChI Key： DKIDEFUBRARXTE-UHFFFAOYSA-N
- SMILES： C(O)(=O)CCS
Computed Properties
- Exact Mass: 106.00888
- Monoisotopic Mass: 106.00885
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 6
- Rotatable Bond Count: 2
- Complexity: 52.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 38.3
Experimental Properties
- Density: 1.223
- Melting Point: 16.8 DEG C
- Boiling Point: 217.4°Cat760mmHg
- Flash Point: 100.7°C
- PSA: 37.3
Propanoic acid,mercapto- Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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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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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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