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1443327-20-5 | 2-((2-Methylthio)benzoyl)pyridine
CAS No: 1443327-20-5 Catalog No: AG01FEG7 MDL No:
Product Description
Catalog Number:
AG01FEG7
Chemical Name:
2-((2-Methylthio)benzoyl)pyridine
CAS Number:
1443327-20-5
Molecular Formula:
C13H11NOS
Molecular Weight:
229.2975
IUPAC Name:
(2-methylsulfanylphenyl)-pyridin-2-ylmethanone
InChI:
InChI=1S/C13H11NOS/c1-16-12-8-3-2-6-10(12)13(15)11-7-4-5-9-14-11/h2-9H,1H3
InChI Key:
BOEXDCAJECOFEL-UHFFFAOYSA-N
SMILES:
CSc1ccccc1C(=O)c1ccccn1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.297g/mol
Monoisotopic Mass:
229.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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