Cas no 91505-29-2 (2-Thiophenecarbonylchloride, 5-chloro-4-methyl-)
91505-29-2 structure
Product Name:2-Thiophenecarbonylchloride, 5-chloro-4-methyl-
CAS No:91505-29-2
MF:C6H4Cl2OS
MW:195.066358566284
CID:799834
PubChem ID:45081752
Update Time:2025-04-19
2-Thiophenecarbonylchloride, 5-chloro-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarbonylchloride, 5-chloro-4-methyl-
- 2-Thiophenecarbonylchloride,5-chloro-4-methyl-(9CI)
- 5-chloro-4-methylthiophene-2-carbonyl chloride
- SCHEMBL3061508
- DTXSID00664828
- 91505-29-2
-
- Inchi： 1S/C6H4Cl2OS/c1-3-2-4(5(7)9)10-6(3)8/h2H,1H3
- InChI Key： YNLBEEFESXJSRX-UHFFFAOYSA-N
- SMILES： ClC1=C(C)C=C(C(=O)Cl)S1
Computed Properties
- Exact Mass: 193.936
- Monoisotopic Mass: 193.936
- 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
- Topological Polar Surface Area: 45.3A^2
- XLogP3: 3.8
2-Thiophenecarbonylchloride, 5-chloro-4-methyl- Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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