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Home > Imidazoles > 92149-91-2
92149-91-2 | 1-P-TOLYL-1H-BENZOIMIDAZOLE-2-THIOL
CAS No: 92149-91-2 Catalog No: AG00H1BL MDL No:MFCD03152432
Product Description
Catalog Number:
AG00H1BL
Chemical Name:
1-P-TOLYL-1H-BENZOIMIDAZOLE-2-THIOL
CAS Number:
92149-91-2
Molecular Formula:
C14H12N2S
Molecular Weight:
240.3235
MDL Number:
MFCD03152432
IUPAC Name:
3-(4-methylphenyl)-1H-benzimidazole-2-thione
InChI:
InChI=1S/C14H12N2S/c1-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)15-14(16)17/h2-9H,1H3,(H,15,17)
InChI Key:
FHXWTJWSGIXRKE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(S)nc2c1cccc2
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.324g/mol
Monoisotopic Mass:
240.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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