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Home > Imidazoles > 178979-98-1
178979-98-1 | 1H-Imidazole, 5-[(3,5-dimethylphenyl)sulfonyl]-1,2-dimethyl-4-(1-methylethyl)-
CAS No: 178979-98-1 Catalog No: AG0026L3 MDL No:
Product Description
Catalog Number:
AG0026L3
Chemical Name:
1H-Imidazole, 5-[(3,5-dimethylphenyl)sulfonyl]-1,2-dimethyl-4-(1-methylethyl)-
CAS Number:
178979-98-1
Molecular Formula:
C16H22N2O2S
Molecular Weight:
306.4231
IUPAC Name:
5-(3,5-dimethylphenyl)sulfonyl-1,2-dimethyl-4-propan-2-ylimidazole
InChI:
InChI=1S/C16H22N2O2S/c1-10(2)15-16(18(6)13(5)17-15)21(19,20)14-8-11(3)7-12(4)9-14/h7-10H,1-6H3
InChI Key:
WPLXBXKDMFXANH-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1)S(=O)(=O)c1c(nc(n1C)C)C(C)C
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.14g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.424g/mol
Monoisotopic Mass:
306.14g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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