Cas no 32600-73-0 (Benzenecarbothioamide,2-(methylamino)-)
32600-73-0 structure
Product Name:Benzenecarbothioamide,2-(methylamino)-
CAS No:32600-73-0
MF:C8H10N2S
MW:166.243400096893
CID:318658
PubChem ID:4565598
Update Time:2025-04-19
Benzenecarbothioamide,2-(methylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarbothioamide,2-(methylamino)-
- 2-(methylamino)benzenecarbothioamide
- 2-(Methylamino)thiobenzamid
- 2-methylaminothiobenzamide
- AC1NCW28
- NSC141659
- NSC-141659
- 32600-73-0
- AKOS000261147
- DTXSID60404328
-
- Inchi： 1S/C8H10N2S/c1-10-7-5-3-2-4-6(7)8(9)11/h2-5,10H,1H3,(H2,9,11)
- InChI Key： UUAULUFCCGUNRN-UHFFFAOYSA-N
- SMILES： S=C(C1C=CC=CC=1NC)N
Computed Properties
- Exact Mass: 166.0566
- Monoisotopic Mass: 166.05646950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 147
- 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: 1.7
- Topological Polar Surface Area: 70.1?2
Experimental Properties
- PSA: 38.05
- LogP: 2.13580
Benzenecarbothioamide,2-(methylamino)- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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