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88978-24-9 | 2H-Benzimidazole-2-thione, 1-(4-ethoxyphenyl)-1,3-dihydro-3-phenyl-
CAS No: 88978-24-9 Catalog No: AG008916 MDL No:
Product Description
Catalog Number:
AG008916
Chemical Name:
2H-Benzimidazole-2-thione, 1-(4-ethoxyphenyl)-1,3-dihydro-3-phenyl-
CAS Number:
88978-24-9
Molecular Formula:
C21H18N2OS
Molecular Weight:
346.4454
IUPAC Name:
1-(4-ethoxyphenyl)-3-phenylbenzimidazole-2-thione
InChI:
InChI=1S/C21H18N2OS/c1-2-24-18-14-12-17(13-15-18)23-20-11-7-6-10-19(20)22(21(23)25)16-8-4-3-5-9-16/h3-15H,2H2,1H3
InChI Key:
VBFIDASPXSXKOB-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)n1c(=S)n(c2c1cccc2)c1ccccc1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.114g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.448g/mol
Monoisotopic Mass:
346.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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