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142071-80-5 | 2H-Benzimidazole-2-thione, 1,3-dihydro-1-(1-phenylethenyl)-
CAS No: 142071-80-5 Catalog No: AG001HPF MDL No:
Product Description
Catalog Number:
AG001HPF
Chemical Name:
2H-Benzimidazole-2-thione, 1,3-dihydro-1-(1-phenylethenyl)-
CAS Number:
142071-80-5
Molecular Formula:
C15H12N2S
Molecular Weight:
252.3342
IUPAC Name:
3-(1-phenylethenyl)-1H-benzimidazole-2-thione
InChI:
InChI=1S/C15H12N2S/c1-11(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-15(17)18/h2-10H,1H2,(H,16,18)
InChI Key:
VCXIKRJGFSYSJN-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2c(n1C(=C)c1ccccc1)cccc2
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.335g/mol
Monoisotopic Mass:
252.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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