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Home Halogens Ethyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate

Ethyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate

CAS No.:
74840-35-0
Catalog Number:
AG008OTV
Molecular Formula:
C8H9ClN2O2S
Molecular Weight:
232.6873
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$849
- +
Product Description
Catalog Number:
AG008OTV
Chemical Name:
Ethyl 5-chloro-2-(methylthio)pyrimidine-4-carboxylate
CAS Number:
74840-35-0
Molecular Formula:
C8H9ClN2O2S
Molecular Weight:
232.6873
MDL Number:
MFCD09040442
IUPAC Name:
ethyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate
InChI:
InChI=1S/C8H9ClN2O2S/c1-3-13-7(12)6-5(9)4-10-8(11-6)14-2/h4H,3H2,1-2H3
InChI Key:
GEBQIOZQHUMABX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(SC)ncc1Cl
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.007g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.682g/mol
Monoisotopic Mass:
232.007g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties