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Home > Pyridines > 208264-95-3
208264-95-3 | Ethanone, 2-(methylthio)-1-(4-pyridinyl)-
CAS No: 208264-95-3 Catalog No: AG002JM6 MDL No:
Product Description
Catalog Number:
AG002JM6
Chemical Name:
Ethanone, 2-(methylthio)-1-(4-pyridinyl)-
CAS Number:
208264-95-3
Molecular Formula:
C8H9NOS
Molecular Weight:
167.2282
IUPAC Name:
2-methylsulfanyl-1-pyridin-4-ylethanone
InChI:
InChI=1S/C8H9NOS/c1-11-6-8(10)7-2-4-9-5-3-7/h2-5H,6H2,1H3
InChI Key:
GNBPAYQJFADJDZ-UHFFFAOYSA-N
SMILES:
CSCC(=O)c1ccncc1
Properties
Complexity:
132
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:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Antimycobacterial activity of substituted isosteres of pyridine- and pyrazinecarboxylic acids. | Journal of medicinal chemistry 19980618 |
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