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73181-95-0 | 4,5-Di-p-tolyl-1,3-dihydro-imidazole-2-thione
CAS No: 73181-95-0 Catalog No: AG005FQC MDL No:MFCD06654917
Product Description
Catalog Number:
AG005FQC
Chemical Name:
4,5-Di-p-tolyl-1,3-dihydro-imidazole-2-thione
CAS Number:
73181-95-0
Molecular Formula:
C17H16N2S
Molecular Weight:
280.3873
MDL Number:
MFCD06654917
IUPAC Name:
4,5-bis(4-methylphenyl)-1,3-dihydroimidazole-2-thione
InChI:
InChI=1S/C17H16N2S/c1-11-3-7-13(8-4-11)15-16(19-17(20)18-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,18,19,20)
InChI Key:
RSZJNDGSQUBMTF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1[nH]c(=S)[nH]c1c1ccc(cc1)C
Properties
Complexity:
363
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:
2
Isotope Atom Count:
0
Molecular Weight:
280.389g/mol
Monoisotopic Mass:
280.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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