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178979-14-1 | 1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-1-ethyl-4-(1-methylethyl)-
CAS No: 178979-14-1 Catalog No: AG0026K6 MDL No:
Product Description
Catalog Number:
AG0026K6
Chemical Name:
1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-1-ethyl-4-(1-methylethyl)-
CAS Number:
178979-14-1
Molecular Formula:
C15H18Cl2N2OS
Molecular Weight:
345.2872
IUPAC Name:
[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methanol
InChI:
InChI=1S/C15H18Cl2N2OS/c1-4-19-13(8-20)18-14(9(2)3)15(19)21-12-6-10(16)5-11(17)7-12/h5-7,9,20H,4,8H2,1-3H3
InChI Key:
MZSAARHMQCFYEG-UHFFFAOYSA-N
SMILES:
OCc1nc(c(n1CC)Sc1cc(Cl)cc(c1)Cl)C(C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.052g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.282g/mol
Monoisotopic Mass:
344.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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