Home Carboxys 3-Pyridinecarboxylic acid, 1,6-dihydro-6-thioxo-, ethyl ester

3-Pyridinecarboxylic acid, 1,6-dihydro-6-thioxo-, ethyl ester

CAS No.:
175909-91-8
Catalog Number:
AG00219X
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
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Product Description
Catalog Number:
AG00219X
Chemical Name:
3-Pyridinecarboxylic acid, 1,6-dihydro-6-thioxo-, ethyl ester
CAS Number:
175909-91-8
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD09733239
IUPAC Name:
ethyl 6-sulfanylidene-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C8H9NO2S/c1-2-11-8(10)6-3-4-7(12)9-5-6/h3-5H,2H2,1H3,(H,9,12)
InChI Key:
CKUOYKJEONNLOF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(=S)[nH]c1
Properties
Complexity:
268  
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:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties