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Home > Pyridines > 828276-48-8
828276-48-8 | Ethanone, 1-[6-(methylthio)-3-pyridinyl]-
CAS No: 828276-48-8 Catalog No: AG0055PG MDL No:MFCD24237683
Product Description
Catalog Number:
AG0055PG
Chemical Name:
Ethanone, 1-[6-(methylthio)-3-pyridinyl]-
CAS Number:
828276-48-8
Molecular Formula:
C8H9NOS
Molecular Weight:
167.2282
MDL Number:
MFCD24237683
IUPAC Name:
1-(6-methylsulfanylpyridin-3-yl)ethanone
InChI:
InChI=1S/C8H9NOS/c1-6(10)7-3-4-8(11-2)9-5-7/h3-5H,1-2H3
InChI Key:
LNQOQKWARJEFRS-UHFFFAOYSA-N
SMILES:
CSc1ccc(cn1)C(=O)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.226g/mol
Monoisotopic Mass:
167.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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