Cas no 3950-02-5 (benzoyl chloride, 2-(chlorothio)- (9ci))
3950-02-5 structure
Product Name:benzoyl chloride, 2-(chlorothio)- (9ci)
CAS No:3950-02-5
MF:C7H4Cl2OS
MW:207.077058792114
CID:924638
PubChem ID:10910715
Update Time:2025-04-19
benzoyl chloride, 2-(chlorothio)- (9ci) Chemical and Physical Properties
Names and Identifiers
-
- benzoyl chloride, 2-(chlorothio)- (9ci)
- 2-(CHLOROTHIO)-BENZOYL CHLORIDE
- HDNJJFBIIZAUQH-UHFFFAOYSA-N
- 2-chlorosulfenylbenzoyl chloride
- o-Chlorosulfenylbenzoyl Chloride
- Benzoyl chloride,2-(chlorothio)-(9ci)
- DTXSID50448059
- 2-chlorosulfanylbenzoyl Chloride
- SCHEMBL464847
- 2-chlorosulphenylbenzoyl chloride
- 2-(chlorocarbonyl)benzenesulfenyl chloride
- 3950-02-5
-
- Inchi： 1S/C7H4Cl2OS/c8-7(10)5-3-1-2-4-6(5)11-9/h1-4H
- InChI Key： HDNJJFBIIZAUQH-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC=CC=1SCl)=O
Computed Properties
- Exact Mass: 205.93612
- Monoisotopic Mass: 205.9359913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 151
- 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: 3.3
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
benzoyl chloride, 2-(chlorothio)- (9ci) Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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