Cas no 62404-15-3 (2-Thiophenecarboxamide, N,N-dimethyl-5-phenyl-)
62404-15-3 structure
Product Name:2-Thiophenecarboxamide, N,N-dimethyl-5-phenyl-
CAS No:62404-15-3
MF:C13H13NOS
MW:231.313421964645
CID:445937
PubChem ID:12323259
Update Time:2025-04-19
2-Thiophenecarboxamide, N,N-dimethyl-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxamide, N,N-dimethyl-5-phenyl-
- N,N-dimethyl-5-phenylthiophene-2-carboxamide
- DTXSID70488952
- 62404-15-3
-
- Inchi： 1S/C13H13NOS/c1-14(2)13(15)12-9-8-11(16-12)10-6-4-3-5-7-10/h3-9H,1-2H3
- InChI Key： BZXRLNPWMWQROS-UHFFFAOYSA-N
- SMILES： S1C(C(N(C)C)=O)=CC=C1C1C=CC=CC=1
Computed Properties
- Exact Mass: 231.07189
- Monoisotopic Mass: 231.07178521g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 248
- 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: 3.1
- Topological Polar Surface Area: 48.6?2
Experimental Properties
- PSA: 20.31
2-Thiophenecarboxamide, N,N-dimethyl-5-phenyl- Related Literature
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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