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Home > Aldehydes > 178979-00-5
178979-00-5 | 1H-Imidazole-2-carboxaldehyde, 5-[(3,5-dimethylphenyl)thio]-1-methyl-4-(1-methylethyl)-, hydrazone
CAS No: 178979-00-5 Catalog No: AG0026J4 MDL No:
Product Description
Catalog Number:
AG0026J4
Chemical Name:
1H-Imidazole-2-carboxaldehyde, 5-[(3,5-dimethylphenyl)thio]-1-methyl-4-(1-methylethyl)-, hydrazone
CAS Number:
178979-00-5
Molecular Formula:
C16H22N4S
Molecular Weight:
302.4377
IUPAC Name:
(E)-[5-(3,5-dimethylphenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylidenehydrazine
InChI:
InChI=1S/C16H22N4S/c1-10(2)15-16(20(5)14(19-15)9-18-17)21-13-7-11(3)6-12(4)8-13/h6-10H,17H2,1-5H3/b18-9+
InChI Key:
DBAKFQDBAZTULW-GIJQJNRQSA-N
SMILES:
NN=Cc1nc(c(n1C)Sc1cc(C)cc(c1)C)C(C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
302.157g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.44g/mol
Monoisotopic Mass:
302.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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