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178979-02-7 | 1H-Imidazole-2-methanol, 5-[(3-chlorophenyl)thio]-1-methyl-4-(1-methylethyl)-
CAS No: 178979-02-7 Catalog No: AG0026J3 MDL No:
Product Description
Catalog Number:
AG0026J3
Chemical Name:
1H-Imidazole-2-methanol, 5-[(3-chlorophenyl)thio]-1-methyl-4-(1-methylethyl)-
CAS Number:
178979-02-7
Molecular Formula:
C14H17ClN2OS
Molecular Weight:
296.8156
IUPAC Name:
[5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanol
InChI:
InChI=1S/C14H17ClN2OS/c1-9(2)13-14(17(3)12(8-18)16-13)19-11-6-4-5-10(15)7-11/h4-7,9,18H,8H2,1-3H3
InChI Key:
IMLWMVDRRWONPT-UHFFFAOYSA-N
SMILES:
OCc1nc(c(n1C)Sc1cccc(c1)Cl)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:
296.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.813g/mol
Monoisotopic Mass:
296.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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