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Home > Pyridines > 114086-04-3
114086-04-3 | 2-(2-Methoxy-2-oxoethylthio)pyridine
CAS No: 114086-04-3 Catalog No: AG01F4KQ MDL No:MFCD01197947
Product Description
Catalog Number:
AG01F4KQ
Chemical Name:
2-(2-Methoxy-2-oxoethylthio)pyridine
CAS Number:
114086-04-3
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD01197947
IUPAC Name:
methyl 2-pyridin-2-ylsulfanylacetate
InChI:
InChI=1S/C8H9NO2S/c1-11-8(10)6-12-7-4-2-3-5-9-7/h2-5H,6H2,1H3
InChI Key:
WQJTXIQQCPXCID-UHFFFAOYSA-N
SMILES:
COC(=O)CSc1ccccn1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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