200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 87504-26-5
87504-26-5 | 1H-Benzimidazole-1-carbothioamide, 2,3-dihydro-N-methyl-2-thioxo-
CAS No: 87504-26-5 Catalog No: AG004I13 MDL No:
Product Description
Catalog Number:
AG004I13
Chemical Name:
1H-Benzimidazole-1-carbothioamide, 2,3-dihydro-N-methyl-2-thioxo-
CAS Number:
87504-26-5
Molecular Formula:
C9H9N3S2
Molecular Weight:
223.3179
IUPAC Name:
N-methyl-2-sulfanylidene-3H-benzimidazole-1-carbothioamide
InChI:
InChI=1S/C9H9N3S2/c1-10-8(13)12-7-5-3-2-4-6(7)11-9(12)14/h2-5H,1H3,(H,10,13)(H,11,14)
InChI Key:
DGVORAIGIDADAD-UHFFFAOYSA-N
SMILES:
CNC(=S)n1c(=S)[nH]c2c1cccc2
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.312g/mol
Monoisotopic Mass:
223.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.