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Home > Imidazoles > 90430-71-0
90430-71-0 | 1H-Benzimidazole-2-carbothioamide, N-phenyl-
CAS No: 90430-71-0 Catalog No: AG006DZP MDL No:
Product Description
Catalog Number:
AG006DZP
Chemical Name:
1H-Benzimidazole-2-carbothioamide, N-phenyl-
CAS Number:
90430-71-0
Molecular Formula:
C14H11N3S
Molecular Weight:
253.3222
IUPAC Name:
N-phenyl-1H-benzimidazole-2-carbothioamide
InChI:
InChI=1S/C14H11N3S/c18-14(15-10-6-2-1-3-7-10)13-16-11-8-4-5-9-12(11)17-13/h1-9H,(H,15,18)(H,16,17)
InChI Key:
PUWVMUKHGOGMHL-UHFFFAOYSA-N
SMILES:
S=C(c1nc2c([nH]1)cccc2)Nc1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.323g/mol
Monoisotopic Mass:
253.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| A N-heterocyclic carbene derived highly regioselective ambident C-C-S and C-C-N 1,3-dipolar system. | Chemical communications (Cambridge, England) 20060321 |
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