Cas no 62404-36-8 (2-Thiophenecarboxamide, N,5-dimethyl-4-phenyl-)
62404-36-8 structure
Product Name:2-Thiophenecarboxamide, N,5-dimethyl-4-phenyl-
CAS No:62404-36-8
MF:C13H13NOS
MW:231.313421964645
CID:445917
PubChem ID:12323286
Update Time:2025-04-19
2-Thiophenecarboxamide, N,5-dimethyl-4-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxamide, N,5-dimethyl-4-phenyl-
- N,5-dimethyl-4-phenylthiophene-2-carboxamide
- DTXSID10488976
- 62404-36-8
- SCHEMBL6883034
-
- Inchi： 1S/C13H13NOS/c1-9-11(10-6-4-3-5-7-10)8-12(16-9)13(15)14-2/h3-8H,1-2H3,(H,14,15)
- InChI Key： FNDOYJWERZTBFD-UHFFFAOYSA-N
- SMILES： S1C(C(NC)=O)=CC(C2C=CC=CC=2)=C1C
Computed Properties
- Exact Mass: 231.07189
- Monoisotopic Mass: 231.07178521g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 250
- 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: 3.2
- Topological Polar Surface Area: 57.3?2
Experimental Properties
- PSA: 29.1
2-Thiophenecarboxamide, N,5-dimethyl-4-phenyl- Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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