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Home Carboxys 3-Pyridinecarboxylic acid, 2-(2-propen-1-ylthio)-

3-Pyridinecarboxylic acid, 2-(2-propen-1-ylthio)-

CAS No.:
175135-25-8
Catalog Number:
AG002073
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
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Product Description
Catalog Number:
AG002073
Chemical Name:
3-Pyridinecarboxylic acid, 2-(2-propen-1-ylthio)-
CAS Number:
175135-25-8
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD00051681
IUPAC Name:
2-prop-2-enylsulfanylpyridine-3-carboxylic acid
InChI:
InChI=1S/C9H9NO2S/c1-2-6-13-8-7(9(11)12)4-3-5-10-8/h2-5H,1,6H2,(H,11,12)
InChI Key:
KSBMXXMQUGZNSF-UHFFFAOYSA-N
SMILES:
C=CCSc1ncccc1C(=O)O
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties