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Home > Imidazoles > 39572-17-3
39572-17-3 | 1-[4-(1H-benzimidazol-2-ylthio)phenyl]ethan-1-one
CAS No: 39572-17-3 Catalog No: AG00CWNO MDL No:
Product Description
Catalog Number:
AG00CWNO
Chemical Name:
1-[4-(1H-benzimidazol-2-ylthio)phenyl]ethan-1-one
CAS Number:
39572-17-3
IUPAC Name:
1-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]ethanone
InChI:
InChI=1S/C15H12N2OS/c1-10(18)11-6-8-12(9-7-11)19-15-16-13-4-2-3-5-14(13)17-15/h2-9H,1H3,(H,16,17)
InChI Key:
JVRNMSKCMXSFDP-UHFFFAOYSA-N
EC Number:
254-526-2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.334g/mol
Monoisotopic Mass:
268.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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