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Home Carboxys 4-Hydroxy-2-(methylthio)pyrimidine-5-carboxylic acid

4-Hydroxy-2-(methylthio)pyrimidine-5-carboxylic acid

CAS No.:
397308-78-0
Catalog Number:
AG0077GF
Molecular Formula:
C6H6N2O3S
Molecular Weight:
186.1884
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$113
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG0077GF
Chemical Name:
4-Hydroxy-2-(methylthio)pyrimidine-5-carboxylic acid
CAS Number:
397308-78-0
Molecular Formula:
C6H6N2O3S
Molecular Weight:
186.1884
MDL Number:
MFCD09759031
IUPAC Name:
2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C6H6N2O3S/c1-12-6-7-2-3(5(10)11)4(9)8-6/h2H,1H3,(H,10,11)(H,7,8,9)
InChI Key:
MOAJQWKFKCJUKP-UHFFFAOYSA-N
SMILES:
CSc1ncc(c(n1)O)C(=O)O
NSC Number:
165520
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.01g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
186.185g/mol
Monoisotopic Mass:
186.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties