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Home > Aldehydes > 178978-95-5
178978-95-5 | 1H-Imidazole-2-carboxaldehyde, 5-[(3,5-dimethylphenyl)thio]-1-methyl-4-(1-methylethyl)-
CAS No: 178978-95-5 Catalog No: AG0026J9 MDL No:
Product Description
Catalog Number:
AG0026J9
Chemical Name:
1H-Imidazole-2-carboxaldehyde, 5-[(3,5-dimethylphenyl)thio]-1-methyl-4-(1-methylethyl)-
CAS Number:
178978-95-5
Molecular Formula:
C16H20N2OS
Molecular Weight:
288.4078
IUPAC Name:
5-(3,5-dimethylphenyl)sulfanyl-1-methyl-4-propan-2-ylimidazole-2-carbaldehyde
InChI:
InChI=1S/C16H20N2OS/c1-10(2)15-16(18(5)14(9-19)17-15)20-13-7-11(3)6-12(4)8-13/h6-10H,1-5H3
InChI Key:
AMAVGABZULUSLQ-UHFFFAOYSA-N
SMILES:
O=Cc1nc(c(n1C)Sc1cc(C)cc(c1)C)C(C)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.13g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.409g/mol
Monoisotopic Mass:
288.13g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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