Home Carboxys 3-(ethylsulfanyl)pyridine-4-carboxylic acid

3-(ethylsulfanyl)pyridine-4-carboxylic acid

CAS No.:
1192021-94-5
Catalog Number:
AG00IWNF
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
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Product Description
Catalog Number:
AG00IWNF
Chemical Name:
3-(ethylsulfanyl)pyridine-4-carboxylic acid
CAS Number:
1192021-94-5
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD20640538
IUPAC Name:
3-ethylsulfanylpyridine-4-carboxylic acid
InChI:
InChI=1S/C8H9NO2S/c1-2-12-7-5-9-4-3-6(7)8(10)11/h3-5H,2H2,1H3,(H,10,11)
InChI Key:
JNHHSXPBAKLWSF-UHFFFAOYSA-N
SMILES:
CCSc1cnccc1C(=O)O
Properties
Complexity:
163  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties