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Home > Imidazoles > 116072-35-6
116072-35-6 | 1H-Imidazole, 1-(4-methylphenyl)-2-(methylthio)-
CAS No: 116072-35-6 Catalog No: AG000BK6 MDL No:
Product Description
Catalog Number:
AG000BK6
Chemical Name:
1H-Imidazole, 1-(4-methylphenyl)-2-(methylthio)-
CAS Number:
116072-35-6
Molecular Formula:
C11H12N2S
Molecular Weight:
204.2914
IUPAC Name:
1-(4-methylphenyl)-2-methylsulfanylimidazole
InChI:
InChI=1S/C11H12N2S/c1-9-3-5-10(6-4-9)13-8-7-12-11(13)14-2/h3-8H,1-2H3
InChI Key:
FPIKZUIBQMGXLK-UHFFFAOYSA-N
SMILES:
CSc1nccn1c1ccc(cc1)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.291g/mol
Monoisotopic Mass:
204.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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