Cas no 62404-34-6 (2-Thiophenecarboxamide, 5-methyl-4-phenyl-)
62404-34-6 structure
Product Name:2-Thiophenecarboxamide, 5-methyl-4-phenyl-
CAS No:62404-34-6
MF:C12H11NOS
MW:217.286841630936
CID:445919
PubChem ID:12323285
Update Time:2025-04-19
2-Thiophenecarboxamide, 5-methyl-4-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxamide, 5-methyl-4-phenyl-
- 5-methyl-4-phenylthiophene-2-carboxamide
- 62404-34-6
- SCHEMBL6454412
- DTXSID50488975
-
- Inchi： 1S/C12H11NOS/c1-8-10(7-11(15-8)12(13)14)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14)
- InChI Key： KQISSDZXHMWNPL-UHFFFAOYSA-N
- SMILES： S1C(C(N)=O)=CC(C2C=CC=CC=2)=C1C
Computed Properties
- Exact Mass: 217.05623
- Monoisotopic Mass: 217.05613515g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 238
- 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: 2.8
- Topological Polar Surface Area: 71.3?2
Experimental Properties
- PSA: 43.09
2-Thiophenecarboxamide, 5-methyl-4-phenyl- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
62404-34-6 (2-Thiophenecarboxamide, 5-methyl-4-phenyl-) Related Products
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