Cas no 141422-63-1 (Benzamide, 4-chloro-N-(phenylthio)-)
141422-63-1 structure
Product Name:Benzamide, 4-chloro-N-(phenylthio)-
CAS No:141422-63-1
MF:C13H10ClNOS
MW:263.742600917816
CID:1312649
PubChem ID:85641079
Update Time:2025-04-20
Benzamide, 4-chloro-N-(phenylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, 4-chloro-N-(phenylthio)-
- 141422-63-1
- 4-Chloro-N-(phenylthio)benzamideE
-
- Inchi： 1S/C13H10ClNOS/c14-11-8-6-10(7-9-11)13(16)15-17-12-4-2-1-3-5-12/h1-9H,(H,15,16)
- InChI Key： LCJPZMLJULNVME-UHFFFAOYSA-N
- SMILES： ClC1C=CC(C(NSC2C=CC=CC=2)=O)=CC=1
Computed Properties
- Exact Mass: 263.0173
- Monoisotopic Mass: 263.0171628g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- 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: 3.8
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 29.1
Benzamide, 4-chloro-N-(phenylthio)- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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