Home Halogens Methyl 5-bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylate

Methyl 5-bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylate

CAS No.:
50593-91-4
Catalog Number:
AG00357V
Molecular Formula:
C7H7BrN2O2S
Molecular Weight:
263.1117
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
1 week
United States
$78
- +
10g
97%
1 week
United States
$112
- +
25g
97%
1 week
United States
$185
- +
50g
97%
1 week
United States
$316
- +
Product Description
Catalog Number:
AG00357V
Chemical Name:
Methyl 5-bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylate
CAS Number:
50593-91-4
Molecular Formula:
C7H7BrN2O2S
Molecular Weight:
263.1117
MDL Number:
MFCD00001294
IUPAC Name:
methyl 5-bromo-2-methylsulfanylpyrimidine-4-carboxylate
InChI:
InChI=1S/C7H7BrN2O2S/c1-12-6(11)5-4(8)3-9-7(10-5)13-2/h3H,1-2H3
InChI Key:
MYZJIEWTRJTWCD-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(SC)ncc1Br
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.941g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.109g/mol
Monoisotopic Mass:
261.941g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties