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Home > Imidazoles > 90715-02-9
90715-02-9 | 1H-Benzimidazole-1-carboxamide, N-ethyl-2,3-dihydro-2-thioxo-
CAS No: 90715-02-9 Catalog No: AG006B1Z MDL No:
Product Description
Catalog Number:
AG006B1Z
Chemical Name:
1H-Benzimidazole-1-carboxamide, N-ethyl-2,3-dihydro-2-thioxo-
CAS Number:
90715-02-9
Molecular Formula:
C10H11N3OS
Molecular Weight:
221.2788
IUPAC Name:
N-ethyl-2-sulfanylidene-3H-benzimidazole-1-carboxamide
InChI:
InChI=1S/C10H11N3OS/c1-2-11-9(14)13-8-6-4-3-5-7(8)12-10(13)15/h3-6H,2H2,1H3,(H,11,14)(H,12,15)
InChI Key:
SOPLKOLUTSIRSL-UHFFFAOYSA-N
SMILES:
CCNC(=O)n1c(=S)[nH]c2c1cccc2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.278g/mol
Monoisotopic Mass:
221.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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