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Home > Aldehydes > 178978-96-6
178978-96-6 | 1H-Imidazole-2-carboxaldehyde, 5-[(3,5-dichlorophenyl)thio]-1-methyl-4-(1-methylethyl)-
CAS No: 178978-96-6 Catalog No: AG0026J8 MDL No:
Product Description
Catalog Number:
AG0026J8
Chemical Name:
1H-Imidazole-2-carboxaldehyde, 5-[(3,5-dichlorophenyl)thio]-1-methyl-4-(1-methylethyl)-
CAS Number:
178978-96-6
Molecular Formula:
C14H14Cl2N2OS
Molecular Weight:
329.2448
IUPAC Name:
5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazole-2-carbaldehyde
InChI:
InChI=1S/C14H14Cl2N2OS/c1-8(2)13-14(18(3)12(7-19)17-13)20-11-5-9(15)4-10(16)6-11/h4-8H,1-3H3
InChI Key:
OPOAUTYJCDFWIK-UHFFFAOYSA-N
SMILES:
O=Cc1nc(c(n1C)Sc1cc(Cl)cc(c1)Cl)C(C)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.02g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.239g/mol
Monoisotopic Mass:
328.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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