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Home Other Building Blocks 2-((2-Oxo-2-phenylethyl)thio)nicotinic acid

2-((2-Oxo-2-phenylethyl)thio)nicotinic acid

CAS No.:
142221-23-6
Catalog Number:
AG001I0K
Molecular Formula:
C14H11NO3S
Molecular Weight:
273.3070
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG001I0K
Chemical Name:
2-((2-Oxo-2-phenylethyl)thio)nicotinic acid
CAS Number:
142221-23-6
Molecular Formula:
C14H11NO3S
Molecular Weight:
273.3070
MDL Number:
MFCD00791575
IUPAC Name:
2-phenacylsulfanylpyridine-3-carboxylic acid
InChI:
InChI=1S/C14H11NO3S/c16-12(10-5-2-1-3-6-10)9-19-13-11(14(17)18)7-4-8-15-13/h1-8H,9H2,(H,17,18)
InChI Key:
MJHMABNIGSEYKN-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CSc1ncccc1C(=O)O
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.046g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.306g/mol
Monoisotopic Mass:
273.046g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
92.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
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