Cas no 229343-00-4 (2-Thiophenecarbonylchloride, 3-chloro-5-methyl-)
229343-00-4 structure
Product Name:2-Thiophenecarbonylchloride, 3-chloro-5-methyl-
CAS No:229343-00-4
MF:C6H4Cl2OS
MW:195.066358566284
CID:245207
PubChem ID:18376862
Update Time:2025-04-19
2-Thiophenecarbonylchloride, 3-chloro-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarbonylchloride, 3-chloro-5-methyl-
- 3-chloro-5-methylthiophene-2-carbonyl chloride
- 2-Thiophenecarbonylchloride,3-chloro-5-methyl
- DTXSID00593265
- SCHEMBL3045837
- ALGIMOLJDUHYTK-UHFFFAOYSA-N
- 2-chlorocarbonyl-3-chloro-5-methylthiophene
- 2-Thiophenecarbonylchloride,3-chloro-5-methyl-(9CI)
- 229343-00-4
-
- Inchi： 1S/C6H4Cl2OS/c1-3-2-4(7)5(10-3)6(8)9/h2H,1H3
- InChI Key： ALGIMOLJDUHYTK-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=O)Cl)SC(C)=C1
Computed Properties
- Exact Mass: 193.93600
- Monoisotopic Mass: 193.9359913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- 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: 3.5
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- PSA: 45.31000
- LogP: 3.08890
2-Thiophenecarbonylchloride, 3-chloro-5-methyl- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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