Cas no 64058-62-4 (Benzenesulfonamide,4-mercapto-)
64058-62-4 structure
Product Name:Benzenesulfonamide,4-mercapto-
CAS No:64058-62-4
MF:C6H7NO2S2
MW:189.25527882576
CID:516470
PubChem ID:116503
Update Time:2025-04-19
Benzenesulfonamide,4-mercapto- Chemical and Physical Properties
Names and Identifiers
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- Benzenesulfonamide,4-mercapto-
- 4-Mercaptobenzenesulfonamide
- 4-sulfanylbenzenesulfonamide
- Benzenesulfonamide, 4-mercapto- (9CI)
-
- Inchi： 1S/C6H7NO2S2/c7-11(8,9)6-3-1-5(10)2-4-6/h1-4,10H,(H2,7,8,9)
- InChI Key： FBAKLWSUNAWWQT-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)S)(N)(=O)=O
Computed Properties
- Exact Mass: 188.99191
- Monoisotopic Mass: 188.99182
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 211
- 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: 0.8
- Topological Polar Surface Area: 69.5
Experimental Properties
- Density: 1.444
- Melting Point: 140 °C
- Boiling Point: 374.9°C at 760 mmHg
- Flash Point: 180.5°C
- Refractive Index: 1.637
- PSA: 60.16
Benzenesulfonamide,4-mercapto- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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