200,000+ products from a single source!
sales@angenechem.com
87239-95-0 | 4-amino-5-(2-methylphenyl)-2H-1,2,4-triazole-3-thione
CAS No: 87239-95-0 Catalog No: AG004RHZ MDL No:MFCD04331378
Product Description
Catalog Number:
AG004RHZ
Chemical Name:
4-amino-5-(2-methylphenyl)-2H-1,2,4-triazole-3-thione
CAS Number:
87239-95-0
Molecular Formula:
C9H10N4S
Molecular Weight:
206.2675
MDL Number:
MFCD04331378
IUPAC Name:
4-amino-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C9H10N4S/c1-6-4-2-3-5-7(6)8-11-12-9(14)13(8)10/h2-5H,10H2,1H3,(H,12,14)
InChI Key:
CUEYNOAJNUCBAP-UHFFFAOYSA-N
SMILES:
Cc1ccccc1c1n[nH]c(=S)n1N
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.267g/mol
Monoisotopic Mass:
206.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia. | Journal of molecular biology 20080104 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.