Cas no 74407-70-8 (Propanoic acid,3-(benzoylthio)-2-methyl-, (R)- (9CI))
74407-70-8 structure
Product Name:Propanoic acid,3-(benzoylthio)-2-methyl-, (R)- (9CI)
CAS No:74407-70-8
MF:C11H12O3S
MW:224.276182174683
CID:577602
PubChem ID:12763918
Update Time:2025-04-19
Propanoic acid,3-(benzoylthio)-2-methyl-, (R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3-(benzoylthio)-2-methyl-, (R)- (9CI)
- (R)-3-(benzoylthio)-2-methylpropionic acid
- (2R)-2-methyl-3-[(phenylcarbonyl)sulfanyl]propanoic acid
- DTXSID901242507
- (2R)-3-benzoylsulfanyl-2-methylpropanoic acid
- EINECS 277-857-4
- 74407-70-8
- Propanoic acid, 3-(benzoylthio)-2-methyl-, (R)-
- NS00059636
- SCHEMBL7897731
-
- Inchi: 1S/C11H12O3S/c1-8(10(12)13)7-15-11(14)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)/t8-/m0/s1
- InChI Key: BCAYPPFBOJCRPN-QMMMGPOBSA-N
- SMILES: S(C(C1C=CC=CC=1)=O)C[C@@H](C(=O)O)C
Computed Properties
- Exact Mass: 224.05076
- Monoisotopic Mass: 224.05071541g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 234
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.4
- Topological Polar Surface Area: 79.7?2
Experimental Properties
- PSA: 54.37
Propanoic acid,3-(benzoylthio)-2-methyl-, (R)- (9CI) Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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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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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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