Cas no 3133-79-7 (Benzo[b]thiophene-2-carboxamide,3-methyl-)
![Benzo[b]thiophene-2-carboxamide,3-methyl- structure](https://ossimg.kuujia.com/scimg/3500/3133-79-7x500.png)
3133-79-7 structure
Product Name:Benzo[b]thiophene-2-carboxamide,3-methyl-
CAS No:3133-79-7
MF:C10H9NOS
MW:191.249561071396
CID:311887
PubChem ID:268531
Update Time:2025-04-19
Benzo[b]thiophene-2-carboxamide,3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene-2-carboxamide,3-methyl-
- 3-methyl-1-benzothiophene-2-carboxamide
- NSC108791
- AKOS009039979
- 3-methylbenzo[b]thiophene-2-carboxamide
- SCHEMBL2702750
- DTXSID20296322
- 3133-79-7
- 3-Methyl-benzo[b]thiophene-2-carboxamide
- FT-0730851
- NSC-108791
-
- Inchi： 1S/C10H9NOS/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3,(H2,11,12)
- InChI Key： URMHRWPZTABVNB-UHFFFAOYSA-N
- SMILES： S1C(C(N)=O)=C(C)C2C=CC=CC1=2
Computed Properties
- Exact Mass: 191.04057
- Monoisotopic Mass: 191.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 219
- 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: 2.5
- Topological Polar Surface Area: 71.3?2
Experimental Properties
- Density: 1.292
- Boiling Point: 371.4°Cat760mmHg
- Flash Point: 178.4°C
- Refractive Index: 1.684
- PSA: 43.09
Benzo[b]thiophene-2-carboxamide,3-methyl- Related Literature
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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