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13134-83-3 | Ethanone, 2-(4-methyl-2-thioxo-1(2H)-pyridinyl)-1-phenyl-
CAS No: 13134-83-3 Catalog No: AG000VZ8 MDL No:
Product Description
Catalog Number:
AG000VZ8
Chemical Name:
Ethanone, 2-(4-methyl-2-thioxo-1(2H)-pyridinyl)-1-phenyl-
CAS Number:
13134-83-3
Molecular Formula:
C14H13NOS
Molecular Weight:
243.3241
IUPAC Name:
2-(4-methyl-2-sulfanylidenepyridin-1-yl)-1-phenylethanone
InChI:
InChI=1S/C14H13NOS/c1-11-7-8-15(14(17)9-11)10-13(16)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChI Key:
INSDGABOESMQJE-UHFFFAOYSA-N
SMILES:
Cc1ccn(c(=S)c1)CC(=O)c1ccccc1
Properties
Complexity:
378
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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