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Home > Pyridines > 123116-01-8
123116-01-8 | 3-Pyridinecarbonyl chloride, 2-(ethylthio)-
CAS No: 123116-01-8 Catalog No: AG000K1O MDL No:MFCD00051679
Product Description
Catalog Number:
AG000K1O
Chemical Name:
3-Pyridinecarbonyl chloride, 2-(ethylthio)-
CAS Number:
123116-01-8
Molecular Formula:
C8H8ClNOS
Molecular Weight:
201.6732
MDL Number:
MFCD00051679
IUPAC Name:
2-ethylsulfanylpyridine-3-carbonyl chloride
InChI:
InChI=1S/C8H8ClNOS/c1-2-12-8-6(7(9)11)4-3-5-10-8/h3-5H,2H2,1H3
InChI Key:
HVBVEALTDTVCAO-UHFFFAOYSA-N
SMILES:
CCSc1ncccc1C(=O)Cl
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.002g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.668g/mol
Monoisotopic Mass:
201.002g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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