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870450-90-1 | 1H-Benzimidazole,1-[4-(methylthio)phenyl]-
CAS No: 870450-90-1 Catalog No: AG008DPX MDL No:
Product Description
Catalog Number:
AG008DPX
Chemical Name:
1H-Benzimidazole,1-[4-(methylthio)phenyl]-
CAS Number:
870450-90-1
Molecular Formula:
C14H12N2S
Molecular Weight:
240.3235
IUPAC Name:
1-(4-methylsulfanylphenyl)benzimidazole
InChI:
InChI=1S/C14H12N2S/c1-17-12-8-6-11(7-9-12)16-10-15-13-4-2-3-5-14(13)16/h2-10H,1H3
InChI Key:
GHLSHBRWTJCFFT-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)n1cnc2c1cccc2
Properties
Complexity:
251
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:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.324g/mol
Monoisotopic Mass:
240.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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