Home Carboxys 5-((Pyrimidin-2-ylthio)methyl)furan-2-carboxylic acid

5-((Pyrimidin-2-ylthio)methyl)furan-2-carboxylic acid

CAS No.:
915920-50-2
Catalog Number:
AG006TF7
Molecular Formula:
C10H8N2O3S
Molecular Weight:
236.2471
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG006TF7
Chemical Name:
5-((Pyrimidin-2-ylthio)methyl)furan-2-carboxylic acid
CAS Number:
915920-50-2
Molecular Formula:
C10H8N2O3S
Molecular Weight:
236.2471
MDL Number:
MFCD08691810
IUPAC Name:
5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxylic acid
InChI:
InChI=1S/C10H8N2O3S/c13-9(14)8-3-2-7(15-8)6-16-10-11-4-1-5-12-10/h1-5H,6H2,(H,13,14)
InChI Key:
BQGUWPXIDXWYJP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)CSc1ncccn1
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.026g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.245g/mol
Monoisotopic Mass:
236.026g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties