Cas no 6469-86-9 (Benzoyl chloride, 2-[(4-chlorophenyl)thio]-)
![Benzoyl chloride, 2-[(4-chlorophenyl)thio]- structure](https://ossimg.kuujia.com/scimg/6500/6469-86-9x500.png)
6469-86-9 structure
Product Name:Benzoyl chloride, 2-[(4-chlorophenyl)thio]-
CAS No:6469-86-9
MF:C13H8Cl2OS
MW:283.173020362854
CID:419166
PubChem ID:71379145
Update Time:2025-04-19
Benzoyl chloride, 2-[(4-chlorophenyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl chloride, 2-[(4-chlorophenyl)thio]-
- 2-(4-chlorophenyl)sulfanylbenzoyl chloride
- 2-[(4-Chlorophenyl)sulfanyl]benzoyl chloride
- 6469-86-9
- DTXSID20801733
-
- Inchi： 1S/C13H8Cl2OS/c14-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)13(15)16/h1-8H
- InChI Key： YJTOJHAJIVPOQK-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)SC1C=CC=CC=1C(=O)Cl
Computed Properties
- Exact Mass: 281.96744
- Monoisotopic Mass: 281.9672914g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 264
- 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: 5.1
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
Benzoyl chloride, 2-[(4-chlorophenyl)thio]- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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