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852388-88-6 | 1-(3,5-dimethylphenyl)-5-phenyl-1H-imidazole-2-thiol
CAS No: 852388-88-6 Catalog No: AG019O4E MDL No:MFCD06655462
Product Description
Catalog Number:
AG019O4E
Chemical Name:
1-(3,5-dimethylphenyl)-5-phenyl-1H-imidazole-2-thiol
CAS Number:
852388-88-6
Molecular Formula:
C17H16N2S
Molecular Weight:
280.3873
MDL Number:
MFCD06655462
IUPAC Name:
3-(3,5-dimethylphenyl)-4-phenyl-1H-imidazole-2-thione
InChI:
InChI=1S/C17H16N2S/c1-12-8-13(2)10-15(9-12)19-16(11-18-17(19)20)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,18,20)
InChI Key:
CFTOLCMICYZFRD-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1)n1c(S)ncc1c1ccccc1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.389g/mol
Monoisotopic Mass:
280.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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