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1105190-34-8 | 1-Isobutyl-5-(4-methoxyphenyl)-1,3-dihydro-2H-imidazole-2-thione
CAS No: 1105190-34-8 Catalog No: AG01AQOL MDL No:MFCD16653449
Product Description
Catalog Number:
AG01AQOL
Chemical Name:
1-Isobutyl-5-(4-methoxyphenyl)-1,3-dihydro-2H-imidazole-2-thione
CAS Number:
1105190-34-8
Molecular Formula:
C14H18N2OS
Molecular Weight:
262.3705
MDL Number:
MFCD16653449
IUPAC Name:
4-(4-methoxyphenyl)-3-(2-methylpropyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C14H18N2OS/c1-10(2)9-16-13(8-15-14(16)18)11-4-6-12(17-3)7-5-11/h4-8,10H,9H2,1-3H3,(H,15,18)
InChI Key:
HKUOPKLMZARTGI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cnc(n1CC(C)C)S
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.371g/mol
Monoisotopic Mass:
262.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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