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65824-08-0 | 3-Pyridinecarboxaldehyde, 1,2-dihydro-1-(1-phenylethyl)-2-thioxo-
CAS No: 65824-08-0 Catalog No: AG006O9V MDL No:
Product Description
Catalog Number:
AG006O9V
Chemical Name:
3-Pyridinecarboxaldehyde, 1,2-dihydro-1-(1-phenylethyl)-2-thioxo-
CAS Number:
65824-08-0
Molecular Formula:
C14H13NOS
Molecular Weight:
243.3241
IUPAC Name:
1-(1-phenylethyl)-2-sulfanylidenepyridine-3-carbaldehyde
InChI:
InChI=1S/C14H13NOS/c1-11(12-6-3-2-4-7-12)15-9-5-8-13(10-16)14(15)17/h2-11H,1H3
InChI Key:
JMAMMDRJFLCJEW-UHFFFAOYSA-N
SMILES:
O=Cc1cccn(c1=S)C(c1ccccc1)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.324g/mol
Monoisotopic Mass:
243.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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