Home Carboxys 2-(Methylthio)pyrimidine-5-carboxylic acid

2-(Methylthio)pyrimidine-5-carboxylic acid

CAS No.:
110099-94-0
Catalog Number:
AG007E1G
Molecular Formula:
C6H6N2O2S
Molecular Weight:
170.1890
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
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Product Description
Catalog Number:
AG007E1G
Chemical Name:
2-(Methylthio)pyrimidine-5-carboxylic acid
CAS Number:
110099-94-0
Molecular Formula:
C6H6N2O2S
Molecular Weight:
170.1890
MDL Number:
MFCD07394096
IUPAC Name:
2-methylsulfanylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C6H6N2O2S/c1-11-6-7-2-4(3-8-6)5(9)10/h2-3H,1H3,(H,9,10)
InChI Key:
BIJIAHGQTQWGJB-UHFFFAOYSA-N
SMILES:
CSc1ncc(cn1)C(=O)O
Properties
Complexity:
146  
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:
0.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties