Cas no 58554-12-4 (Benzamide, N-[[(1-thioxoethyl)amino]carbonyl]-)
58554-12-4 structure
Product Name:Benzamide, N-[[(1-thioxoethyl)amino]carbonyl]-
CAS No:58554-12-4
MF:C10H10N2O2S
MW:222.263600826263
CID:385989
PubChem ID:3603213
Update Time:2025-04-19
Benzamide, N-[[(1-thioxoethyl)amino]carbonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, N-[[(1-thioxoethyl)amino]carbonyl]-
- N-(ethanethioylcarbamoyl)benzamide
- NSC-264248
- 58554-12-4
- DTXSID70394064
- NSC264248
-
- Inchi: 1S/C10H10N2O2S/c1-7(15)11-10(14)12-9(13)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,13,14,15)
- InChI Key: RHVKPZJBVFAJNF-UHFFFAOYSA-N
- SMILES: S=C(C)NC(NC(C1C=CC=CC=1)=O)=O
Computed Properties
- Exact Mass: 222.0464
- Monoisotopic Mass: 222.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 273
- 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: 1.9
- Topological Polar Surface Area: 90.3?2
Experimental Properties
- Density: 1.279
- Refractive Index: 1.607
- PSA: 58.2
- LogP: 2.25510
Benzamide, N-[[(1-thioxoethyl)amino]carbonyl]- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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