Cas no 17435-12-0 (Benzenecarbothioamide, N,N-diphenyl-)
17435-12-0 structure
Product Name:Benzenecarbothioamide, N,N-diphenyl-
CAS No:17435-12-0
MF:C19H15NS
MW:289.394103288651
CID:1359904
PubChem ID:804613
Update Time:2025-04-20
Benzenecarbothioamide, N,N-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarbothioamide, N,N-diphenyl-
- N,N-diphenylbenzenecarbothioamide
- N,N-Diphenylbenzothioamide
- MLS000558647
- N,N-Diphenyl-thiobenzamide
- AKOS000575173
- AG-690/11307339
- 17435-12-0
- DTXSID00355527
- HMS2323O24
- SMR000175327
- CHEMBL1405908
-
- Inchi： 1S/C19H15NS/c21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
- InChI Key： LSRNUEQABARJTA-UHFFFAOYSA-N
- SMILES： S=C(C1C=CC=CC=1)N(C1C=CC=CC=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 289.09265
- Monoisotopic Mass: 289.09252066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 305
- 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: 4.7
- Topological Polar Surface Area: 35.3?2
Experimental Properties
- PSA: 3.24
Benzenecarbothioamide, N,N-diphenyl- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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