Cas no 158667-07-3 (Benzoyl chloride,2-(2-propen-1-ylthio)-)
158667-07-3 structure
Product Name:Benzoyl chloride,2-(2-propen-1-ylthio)-
CAS No:158667-07-3
MF:C10H9ClOS
MW:212.695860624313
CID:108966
PubChem ID:45081985
Update Time:2025-04-18
Benzoyl chloride,2-(2-propen-1-ylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl chloride,2-(2-propen-1-ylthio)-
- 2-prop-2-enylsulfanylbenzoyl chloride
- Benzoyl chloride, 2-(2-propenylthio)- (9CI)
- DTXSID70665009
- 2-[(Prop-2-en-1-yl)sulfanyl]benzoyl chloride
- 2-(Allylsulfanyl)benzoyl chloride
- SCHEMBL11756536
- 158667-07-3
-
- Inchi： 1S/C10H9ClOS/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h2-6H,1,7H2
- InChI Key： JAWOOMCTNOHBHC-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC=CC=1SCC=C)=O
Computed Properties
- Exact Mass: 212.00637
- Monoisotopic Mass: 212.006
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 193
- 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: 3.6
Experimental Properties
- PSA: 17.07
Benzoyl chloride,2-(2-propen-1-ylthio)- Related Literature
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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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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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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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