200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 79213-76-6
79213-76-6 | Carbamic acid,N-(6-mercapto-1H-benzimidazol-2-yl)-, methyl ester
CAS No: 79213-76-6 Catalog No: AG005LBM MDL No:
Product Description
Catalog Number:
AG005LBM
Chemical Name:
Carbamic acid,N-(6-mercapto-1H-benzimidazol-2-yl)-, methyl ester
CAS Number:
79213-76-6
Molecular Formula:
C9H8N3O2S-
Molecular Weight:
222.2437
IUPAC Name:
2-[carboxy(methyl)amino]-3H-benzimidazole-5-thiolate
InChI:
InChI=1S/C9H9N3O2S/c1-12(9(13)14)8-10-6-3-2-5(15)4-7(6)11-8/h2-4,15H,1H3,(H,10,11)(H,13,14)/p-1
InChI Key:
CVHQDEPYQSPUCG-UHFFFAOYSA-M
SMILES:
Sc1ccc2c(c1)nc([nH]2)N(C(=O)[O-])C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.034g/mol
Formal Charge:
-1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.242g/mol
Monoisotopic Mass:
222.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.