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Home > Imidazoles > 178978-94-4
178978-94-4 | 1H-Imidazole, 5-[(3,5-dimethylphenyl)thio]-4-ethyl-1,2-dimethyl-
CAS No: 178978-94-4 Catalog No: AG0026JA MDL No:
Product Description
Catalog Number:
AG0026JA
Chemical Name:
1H-Imidazole, 5-[(3,5-dimethylphenyl)thio]-4-ethyl-1,2-dimethyl-
CAS Number:
178978-94-4
Molecular Formula:
C15H20N2S
Molecular Weight:
260.3977
IUPAC Name:
5-(3,5-dimethylphenyl)sulfanyl-4-ethyl-1,2-dimethylimidazole
InChI:
InChI=1S/C15H20N2S/c1-6-14-15(17(5)12(4)16-14)18-13-8-10(2)7-11(3)9-13/h7-9H,6H2,1-5H3
InChI Key:
RTWXCHWGUXTCTR-UHFFFAOYSA-N
SMILES:
CCc1nc(n(c1Sc1cc(C)cc(c1)C)C)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.135g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.399g/mol
Monoisotopic Mass:
260.135g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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