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

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

CAS No.:
50593-92-5
Catalog Number:
AG003479
Molecular Formula:
C6H5BrN2O2S
Molecular Weight:
249.0851
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$72
- +
100g
98%
In Stock USA
United States
$244
- +
500g
98%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG003479
Chemical Name:
5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid
CAS Number:
50593-92-5
Molecular Formula:
C6H5BrN2O2S
Molecular Weight:
249.0851
MDL Number:
MFCD00238866
IUPAC Name:
5-bromo-2-methylsulfanylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C6H5BrN2O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11)
InChI Key:
YJEWVVYJOJJLBP-UHFFFAOYSA-N
SMILES:
CSc1ncc(c(n1)C(=O)O)Br
NSC Number:
157318
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.926g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.082g/mol
Monoisotopic Mass:
247.926g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
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