Cas no 588675-31-4 (Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(2-thienylmethyl)- (9CI))
![Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(2-thienylmethyl)- (9CI) structure](https://ossimg.kuujia.com/scimg/589000/588675-31-4x500.png)
588675-31-4 structure
Product Name:Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(2-thienylmethyl)- (9CI)
CAS No:588675-31-4
MF:C14H9ClFNOS2
MW:325.80876326561
CID:949152
PubChem ID:4505207
Update Time:2025-04-19
Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(2-thienylmethyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(2-thienylmethyl)- (9CI)
- 3-Chloro-4-fluoro-N-(2-thienylmethyl)-1-benzothiophene-2-carboxam ide
- 3-CHLORO-4-FLUORO-N-[(THIOPHEN-2-YL)METHYL]-1-BENZOTHIOPHENE-2-CARBOXAMIDE
- DB-274304
- Oprea1_411238
- STK434779
- 588675-31-4
- 3-Chloro-4-Fluoro-N-(2-Thienylmethyl)-1-Benzothiophene-2-Carboxamide
- AKOS003289851
- BENZO[B]THIOPHENE-2-CARBOXAMIDE, 3-CHLORO-4-FLUORO-N-(2-THIENYLMETHYL)-
- 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide
-
- Inchi： 1S/C14H9ClFNOS2/c15-12-11-9(16)4-1-5-10(11)20-13(12)14(18)17-7-8-3-2-6-19-8/h1-6H,7H2,(H,17,18)
- InChI Key： GFSQOUYZAYUEPP-UHFFFAOYSA-N
- SMILES： ClC1=C(C(NCC2=CC=CS2)=O)SC2C=CC=C(C=21)F
Computed Properties
- Exact Mass: 324.98
- Monoisotopic Mass: 324.98
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 373
- 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: 85.6A^2
- XLogP3: 4.5
Benzo[b]thiophene-2-carboxamide, 3-chloro-4-fluoro-N-(2-thienylmethyl)- (9CI) Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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