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Home > Aldehydes > 1251922-54-9
1251922-54-9 | 4-(benzylsulfanyl)-1-phenyl-1H-imidazole-5-carbaldehyde
CAS No: 1251922-54-9 Catalog No: AG01AA6G MDL No:MFCD16990645
Product Description
Catalog Number:
AG01AA6G
Chemical Name:
4-(benzylsulfanyl)-1-phenyl-1H-imidazole-5-carbaldehyde
CAS Number:
1251922-54-9
Molecular Formula:
C17H14N2OS
Molecular Weight:
294.3709
MDL Number:
MFCD16990645
IUPAC Name:
5-benzylsulfanyl-3-phenylimidazole-4-carbaldehyde
InChI:
InChI=1S/C17H14N2OS/c20-11-16-17(21-12-14-7-3-1-4-8-14)18-13-19(16)15-9-5-2-6-10-15/h1-11,13H,12H2
InChI Key:
GWXHVCUVEQYPLE-UHFFFAOYSA-N
SMILES:
O=Cc1c(SCc2ccccc2)ncn1c1ccccc1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.372g/mol
Monoisotopic Mass:
294.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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