Cas no 2415-10-3 (Benzenecarbothioamide, 2-amino-N-methyl-)
2415-10-3 structure
Product Name:Benzenecarbothioamide, 2-amino-N-methyl-
CAS No:2415-10-3
MF:C8H10N2S
MW:166.243400096893
CID:1416475
PubChem ID:10797150
Update Time:2025-04-20
Benzenecarbothioamide, 2-amino-N-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarbothioamide, 2-amino-N-methyl-
- 2-Amino-N-methyl-thiobenzamide
- 2415-10-3
- InChI=1/C8H10N2S/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3,(H,10,11)
- DTXSID30444953
- 2-amino-N-methylbenzenecarbothioamide
- CHEMBL319618
- DDBSWGLLYLTWRA-UHFFFAOYSA-
-
- Inchi： 1S/C8H10N2S/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3,(H,10,11)
- InChI Key： DDBSWGLLYLTWRA-UHFFFAOYSA-N
- SMILES： S=C(C1C=CC=CC=1N)NC
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: 1
- 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: 1.4
- Topological Polar Surface Area: 70.1?2
Experimental Properties
- PSA: 38.05
Benzenecarbothioamide, 2-amino-N-methyl- Related Literature
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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