Home Carboxys 2-Methylsulfanylpyrimidine-4-carboxylic acid

2-Methylsulfanylpyrimidine-4-carboxylic acid

CAS No.:
1126-44-9
Catalog Number:
AG0038YU
Molecular Formula:
C6H6N2O2S
Molecular Weight:
170.1890
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG0038YU
Chemical Name:
2-Methylsulfanylpyrimidine-4-carboxylic acid
CAS Number:
1126-44-9
Molecular Formula:
C6H6N2O2S
Molecular Weight:
170.1890
MDL Number:
MFCD09834808
IUPAC Name:
2-methylsulfanylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C6H6N2O2S/c1-11-6-7-3-2-4(8-6)5(9)10/h2-3H,1H3,(H,9,10)
InChI Key:
IAGNLKODEFUQDV-UHFFFAOYSA-N
SMILES:
CSc1nccc(n1)C(=O)O
NSC Number:
165382
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.015g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.186g/mol
Monoisotopic Mass:
170.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties