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Home Carboxys 2-Mercapto-5-benzimidazolecarboxylic acid

2-Mercapto-5-benzimidazolecarboxylic acid

CAS No.:
58089-25-1
Catalog Number:
AG0037HM
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$63
- +
5g
95%
In Stock USA
United States
$274
- +
Product Description
Catalog Number:
AG0037HM
Chemical Name:
2-Mercapto-5-benzimidazolecarboxylic acid
CAS Number:
58089-25-1
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
MDL Number:
MFCD01318607
IUPAC Name:
2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxylic acid
InChI:
InChI=1S/C8H6N2O2S/c11-7(12)4-1-2-5-6(3-4)10-8(13)9-5/h1-3H,(H,11,12)(H2,9,10,13)
InChI Key:
DCRZVUIGGYMOBI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)[nH]c(=S)[nH]2
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.015g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
194.208g/mol
Monoisotopic Mass:
194.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Synthesis and biological activity of splitomicin analogs targeted at human NAD(+)-dependent histone deacetylases (sirtuins). Bioorganic & medicinal chemistry 20110615
Properties