Cas no 62176-14-1 (Benzoic acid, 5-(chlorothio)-2-hydroxy-)
62176-14-1 structure
Product Name:Benzoic acid, 5-(chlorothio)-2-hydroxy-
CAS No:62176-14-1
MF:C7H5ClO3S
MW:204.630800008774
CID:455458
PubChem ID:18417127
Update Time:2025-04-19
Benzoic acid, 5-(chlorothio)-2-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 5-(chlorothio)-2-hydroxy-
- 5-chlorosulfanyl-2-hydroxybenzoic acid
- SCHEMBL6401695
- DTXSID90593577
- 5-(Chlorosulfanyl)-2-hydroxybenzoic acid
- 62176-14-1
-
- Inchi： 1S/C7H5ClO3S/c8-12-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
- InChI Key： DBYHJKDSGACSAV-UHFFFAOYSA-N
- SMILES： ClSC1C=CC(=C(C(=O)O)C=1)O
Computed Properties
- Exact Mass: 203.96485
- Monoisotopic Mass: 203.9647929g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 176
- 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: 3.4
- Topological Polar Surface Area: 82.8?2
Experimental Properties
- PSA: 57.53
Benzoic acid, 5-(chlorothio)-2-hydroxy- Related Literature
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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