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Home > Aldehydes > 160348-38-9
160348-38-9 | 1H-Pyrazole-4-carboxaldehyde, 3-methyl-1-phenyl-5-(2-propen-1-ylthio)-
CAS No: 160348-38-9 Catalog No: AG001RUF MDL No:
Product Description
Catalog Number:
AG001RUF
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 3-methyl-1-phenyl-5-(2-propen-1-ylthio)-
CAS Number:
160348-38-9
Molecular Formula:
C14H14N2OS
Molecular Weight:
258.3388
IUPAC Name:
3-methyl-1-phenyl-5-prop-2-enylsulfanylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C14H14N2OS/c1-3-9-18-14-13(10-17)11(2)15-16(14)12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3
InChI Key:
QNUNKJJRZYMIOI-UHFFFAOYSA-N
SMILES:
C=CCSc1c(C=O)c(nn1c1ccccc1)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.083g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.339g/mol
Monoisotopic Mass:
258.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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