Cas no 144672-61-7 (Benzoyl chloride,2-[(1-methylethyl)thio]-)
![Benzoyl chloride,2-[(1-methylethyl)thio]- structure](https://ossimg.kuujia.com/scimg/145000/144672-61-7x500.png)
144672-61-7 structure
Product Name:Benzoyl chloride,2-[(1-methylethyl)thio]-
CAS No:144672-61-7
MF:C10H11ClOS
MW:214.711740732193
CID:108844
PubChem ID:45081217
Update Time:2025-04-18
Benzoyl chloride,2-[(1-methylethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl chloride,2-[(1-methylethyl)thio]-
- 2-propan-2-ylsulfanylbenzoyl chloride
- 144672-61-7
- DTXSID00664444
- GBWKEJJYEZHYOR-UHFFFAOYSA-N
- 2-[(Propan-2-yl)sulfanyl]benzoyl chloride
- SCHEMBL4122311
- 2-(isopropylthio)benzoyl chloride
-
- Inchi： 1S/C10H11ClOS/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3
- InChI Key： GBWKEJJYEZHYOR-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC=CC=1SC(C)C)=O
Computed Properties
- Exact Mass: 214.02203
- Monoisotopic Mass: 214.022
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 182
- 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
- Topological Polar Surface Area: 42.4A^2
- XLogP3: 3.7
Experimental Properties
- PSA: 17.07
Benzoyl chloride,2-[(1-methylethyl)thio]- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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