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Home Other Building Blocks 2-(Pentylthio)nicotinic acid

2-(Pentylthio)nicotinic acid

CAS No.:
175135-23-6
Catalog Number:
AG002075
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
98%(HPLC)
In Stock USA
United States
$143
- +
100mg
98%(HPLC)
In Stock USA
United States
$290
- +
1g
98%(HPLC)
In Stock USA
United States
$686
- +
Product Description
Catalog Number:
AG002075
Chemical Name:
2-(Pentylthio)nicotinic acid
CAS Number:
175135-23-6
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
MDL Number:
MFCD00051683
IUPAC Name:
2-pentylsulfanylpyridine-3-carboxylic acid
InChI:
InChI=1S/C11H15NO2S/c1-2-3-4-8-15-10-9(11(13)14)6-5-7-12-10/h5-7H,2-4,8H2,1H3,(H,13,14)
InChI Key:
KBLCPQKUAQPOQS-UHFFFAOYSA-N
SMILES:
CCCCCSc1ncccc1C(=O)O
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.082g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
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