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Home > Imidazoles > 92685-57-9
92685-57-9 | (2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone
CAS No: 92685-57-9 Catalog No: AG00JHI7 MDL No:MFCD08282928
Product Description
Catalog Number:
AG00JHI7
Chemical Name:
(2-mercapto-1H-benzimidazol-6-yl)(phenyl)methanone
CAS Number:
92685-57-9
Molecular Formula:
C14H10N2OS
Molecular Weight:
254.3070
MDL Number:
MFCD08282928
IUPAC Name:
phenyl-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone
InChI:
InChI=1S/C14H10N2OS/c17-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)16-14(18)15-11/h1-8H,(H2,15,16,18)
InChI Key:
WVONOTFBACQFPO-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)[nH]c(n2)S)c1ccccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.307g/mol
Monoisotopic Mass:
254.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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