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178978-90-0 | 1H-Imidazole, 5-[(3,5-dichlorophenyl)thio]-1,2-dimethyl-4-(1-methylethyl)-
CAS No: 178978-90-0 Catalog No: AG0026JC MDL No:
Product Description
Catalog Number:
AG0026JC
Chemical Name:
1H-Imidazole, 5-[(3,5-dichlorophenyl)thio]-1,2-dimethyl-4-(1-methylethyl)-
CAS Number:
178978-90-0
Molecular Formula:
C14H16Cl2N2S
Molecular Weight:
315.2612
IUPAC Name:
5-(3,5-dichlorophenyl)sulfanyl-1,2-dimethyl-4-propan-2-ylimidazole
InChI:
InChI=1S/C14H16Cl2N2S/c1-8(2)13-14(18(4)9(3)17-13)19-12-6-10(15)5-11(16)7-12/h5-8H,1-4H3
InChI Key:
RFRFFCISKHQSNU-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1)Cl)Sc1c(nc(n1C)C)C(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.256g/mol
Monoisotopic Mass:
314.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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