Cas no 2392-67-8 (BENZENAMINE, 3-ISOTHIOCYANATO-N,N-DIMETHYL-)
2392-67-8 structure
Product Name:BENZENAMINE, 3-ISOTHIOCYANATO-N,N-DIMETHYL-
CAS No:2392-67-8
MF:C9H10N2S
MW:178.254100322723
CID:3360158
PubChem ID:23424492
Update Time:2025-04-21
BENZENAMINE, 3-ISOTHIOCYANATO-N,N-DIMETHYL- Chemical and Physical Properties
Names and Identifiers
-
- BENZENAMINE, 3-ISOTHIOCYANATO-N,N-DIMETHYL-
- 3-isothiocyanato-N,N-dimethylaniline
- DTXSID601324813
- 2392-67-8
-
- Inchi： 1S/C9H10N2S/c1-11(2)9-5-3-4-8(6-9)10-7-12/h3-6H,1-2H3
- InChI Key： ZFQQVIBKRUHFMF-UHFFFAOYSA-N
- SMILES： C1(N=C=S)=CC=CC(N(C)C)=C1
Computed Properties
- Exact Mass: 178.05646950Da
- Monoisotopic Mass: 178.05646950Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 185
- 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: 3.6
- Topological Polar Surface Area: 47.7?2
BENZENAMINE, 3-ISOTHIOCYANATO-N,N-DIMETHYL- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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