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Home > Imidazoles > 1217863-37-0
1217863-37-0 | 2-(3-Thiocarbamoylphenyl)benzimidazole
CAS No: 1217863-37-0 Catalog No: AG01FCKM MDL No:MFCD16251582
Product Description
Catalog Number:
AG01FCKM
Chemical Name:
2-(3-Thiocarbamoylphenyl)benzimidazole
CAS Number:
1217863-37-0
Molecular Formula:
C14H11N3S
Molecular Weight:
253.3222
MDL Number:
MFCD16251582
IUPAC Name:
3-(1H-benzimidazol-2-yl)benzenecarbothioamide
InChI:
InChI=1S/C14H11N3S/c15-13(18)9-4-3-5-10(8-9)14-16-11-6-1-2-7-12(11)17-14/h1-8H,(H2,15,18)(H,16,17)
InChI Key:
ORFAWVSZCQRSSQ-UHFFFAOYSA-N
SMILES:
NC(=S)c1cccc(c1)c1nc2c([nH]1)cccc2
Properties
Complexity:
320
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:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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