Cas no 62403-31-0 (2-Thiophenecarboxamide, N-methyl-4-phenyl-)
62403-31-0 structure
Product Name:2-Thiophenecarboxamide, N-methyl-4-phenyl-
CAS No:62403-31-0
MF:C12H11NOS
MW:217.286841630936
CID:446003
PubChem ID:12323284
Update Time:2025-04-19
2-Thiophenecarboxamide, N-methyl-4-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxamide, N-methyl-4-phenyl-
- N-methyl-4-phenylthiophene-2-carboxamide
- 62403-31-0
- DTXSID90488974
- SCHEMBL6879747
-
- Inchi： 1S/C12H11NOS/c1-13-12(14)11-7-10(8-15-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14)
- InChI Key： VVZXBUCTKHCOKI-UHFFFAOYSA-N
- SMILES： S1C=C(C=C1C(NC)=O)C1C=CC=CC=1
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: 226
- 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: 57.3?2
Experimental Properties
- PSA: 29.1
2-Thiophenecarboxamide, N-methyl-4-phenyl- Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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