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178978-92-2 | 1H-Imidazole, 5-[(3-chlorophenyl)thio]-1,2-dimethyl-4-(1-methylethyl)-
CAS No: 178978-92-2 Catalog No: AG0026JB MDL No:
Product Description
Catalog Number:
AG0026JB
Chemical Name:
1H-Imidazole, 5-[(3-chlorophenyl)thio]-1,2-dimethyl-4-(1-methylethyl)-
CAS Number:
178978-92-2
Molecular Formula:
C14H17ClN2S
Molecular Weight:
280.8162
IUPAC Name:
5-(3-chlorophenyl)sulfanyl-1,2-dimethyl-4-propan-2-ylimidazole
InChI:
InChI=1S/C14H17ClN2S/c1-9(2)13-14(17(4)10(3)16-13)18-12-7-5-6-11(15)8-12/h5-9H,1-4H3
InChI Key:
URAVBJOMEZLKJX-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)Sc1c(nc(n1C)C)C(C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.814g/mol
Monoisotopic Mass:
280.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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