Cas no 5661-62-1 (3-chloro-N,N-dimethyl-1-benzothiophene-2-carboxamide)
5661-62-1 structure
Product Name:3-chloro-N,N-dimethyl-1-benzothiophene-2-carboxamide
CAS No:5661-62-1
MF:C11H10ClNOS
MW:239.721200466156
CID:1599778
PubChem ID:867634
Update Time:2025-04-21
3-chloro-N,N-dimethyl-1-benzothiophene-2-carboxamide Chemical and Physical Properties
Names and Identifiers
-
- 3-chloro-N,N-dimethyl-1-benzothiophene-2-carboxamide
- DTXSID40357767
- 5661-62-1
- CB01730
- AKOS002391271
- Cambridge id 5661621
- AH-487/37084045
- 3-Chloro-N,N-dimethylbenzo[b]thiophene-2-carboxamide
- SR-01000216266
- SMSF0006732
- SR-01000216266-1
- CBMicro_000494
- BIM-0000418.P001
-
- Inchi： 1S/C11H10ClNOS/c1-13(2)11(14)10-9(12)7-5-3-4-6-8(7)15-10/h3-6H,1-2H3
- InChI Key： PUQKDRKZNPBMDY-UHFFFAOYSA-N
- SMILES： ClC1=C(C(N(C)C)=O)SC2C=CC=CC=21
Computed Properties
- Exact Mass: 239.0173
- Monoisotopic Mass: 239.017162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 259
- 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: 48.6
- XLogP3: 3.4
Experimental Properties
- Density: 1.329
- Boiling Point: 409.1°C at 760 mmHg
- Flash Point: 201.2°C
- Refractive Index: 1.65
- PSA: 20.31
3-chloro-N,N-dimethyl-1-benzothiophene-2-carboxamide Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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