Cas no 6124-48-7 (3-chloro-N-ethyl-6-methyl-1-benzothiophene-2-carboxamide)
6124-48-7 structure
Product Name:3-chloro-N-ethyl-6-methyl-1-benzothiophene-2-carboxamide
CAS No:6124-48-7
MF:C12H12ClNOS
MW:253.747780799866
CID:1627806
PubChem ID:874448
Update Time:2025-04-21
3-chloro-N-ethyl-6-methyl-1-benzothiophene-2-carboxamide Chemical and Physical Properties
Names and Identifiers
-
- 3-chloro-N-ethyl-6-methyl-1-benzothiophene-2-carboxamide
- benzo[b]thiophene-2-carboxamide, 3-chloro-N-ethyl-6-methyl-
- HMS2596I03
- BIM-0046290.P001
- SR-01000228341-1
- SR-01000228341
- 3-Chloro-N-ethyl-6-methyl-1-benzothiophene-2-carboximidic acid
- 6124-48-7
- STK426907
- AB00614860-08
- Opera_ID_754
- SMR000268327
- HMS3380F06
- CBMicro_046225
- Cambridge id 6124487
- AKOS003272230
- CHEMBL1371511
- MLS000684867
- NCGC00297092-01
- DTXSID90976745
-
- Inchi： 1S/C12H12ClNOS/c1-3-14-12(15)11-10(13)8-5-4-7(2)6-9(8)16-11/h4-6H,3H2,1-2H3,(H,14,15)
- InChI Key： LVJNWRAKBUQZTM-UHFFFAOYSA-N
- SMILES： ClC1=C(C(NCC)=O)SC2C=C(C)C=CC=21
Computed Properties
- Exact Mass: 253.03296
- Monoisotopic Mass: 253.033
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 274
- 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: 3.9
- Topological Polar Surface Area: 57.3?2
Experimental Properties
- Density: 1.28
- Boiling Point: 428.9°C at 760 mmHg
- Flash Point: 213.2°C
- Refractive Index: 1.629
- PSA: 29.1
3-chloro-N-ethyl-6-methyl-1-benzothiophene-2-carboxamide Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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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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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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