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18103-73-6

18103-73-6 | 3-Pyridinecarboxylic acid, 4-mercapto-

CAS No: 18103-73-6 Catalog No: AG0022MF MDL No:

Product Description

Catalog Number:
AG0022MF
Chemical Name:
3-Pyridinecarboxylic acid, 4-mercapto-
CAS Number:
18103-73-6
Molecular Formula:
C6H5NO2S
Molecular Weight:
155.1744
IUPAC Name:
4-sulfanylidene-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C6H5NO2S/c8-6(9)4-3-7-2-1-5(4)10/h1-3H,(H,7,10)(H,8,9)
InChI Key:
QXGWKRJJEODSIZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnccc1S

Properties

Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.004g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
155.171g/mol
Monoisotopic Mass:
155.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Literature

Title Journal
Methods for generating protein molecular ions in ToF-SIMS. Langmuir : the ACS journal of surfaces and colloids 20040427

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