Cas no 60253-37-4 (Benzenecarbothioamide, N,2-dimethyl-)
60253-37-4 structure
Product Name:Benzenecarbothioamide, N,2-dimethyl-
CAS No:60253-37-4
MF:C9H11NS
MW:165.25534081459
CID:498478
PubChem ID:11816060
Update Time:2025-04-19
Benzenecarbothioamide, N,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarbothioamide, N,2-dimethyl-
- N,2-dimethylbenzenecarbothioamide
-
- Inchi： 1S/C9H11NS/c1-7-5-3-4-6-8(7)9(11)10-2/h3-6H,1-2H3,(H,10,11)
- InChI Key： XKXBNONOHGVRFL-UHFFFAOYSA-N
- SMILES： S=C(C1C=CC=CC=1C)NC
Computed Properties
- Exact Mass: 165.06133
- Monoisotopic Mass: 165.06122053g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 145
- 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: 1.6
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- PSA: 12.03
Benzenecarbothioamide, N,2-dimethyl- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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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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