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75407-66-8 | 3-Pyridinecarboxaldehyde, 1,2-dihydro-1-phenyl-2-thioxo-, oxime
CAS No: 75407-66-8 Catalog No: AG005XTX MDL No:
Product Description
Catalog Number:
AG005XTX
Chemical Name:
3-Pyridinecarboxaldehyde, 1,2-dihydro-1-phenyl-2-thioxo-, oxime
CAS Number:
75407-66-8
Molecular Formula:
C12H10N2OS
Molecular Weight:
230.2856
IUPAC Name:
3-(hydroxyiminomethyl)-1-phenylpyridine-2-thione
InChI:
InChI=1S/C12H10N2OS/c15-13-9-10-5-4-8-14(12(10)16)11-6-2-1-3-7-11/h1-9,15H
InChI Key:
HRKGIZGYQVXYLP-UHFFFAOYSA-N
SMILES:
ON=Cc1cccn(c1=S)c1ccccc1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.285g/mol
Monoisotopic Mass:
230.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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