Home Carboxys Ethyl 2-(methylthio)pyrimidine-4-carboxylate

Ethyl 2-(methylthio)pyrimidine-4-carboxylate

CAS No.:
250726-39-7
Catalog Number:
AG002QDX
Molecular Formula:
C8H10N2O2S
Molecular Weight:
198.2422
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$152
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Product Description
Catalog Number:
AG002QDX
Chemical Name:
Ethyl 2-(methylthio)pyrimidine-4-carboxylate
CAS Number:
250726-39-7
Molecular Formula:
C8H10N2O2S
Molecular Weight:
198.2422
MDL Number:
MFCD11226175
IUPAC Name:
ethyl 2-methylsulfanylpyrimidine-4-carboxylate
InChI:
InChI=1S/C8H10N2O2S/c1-3-12-7(11)6-4-5-9-8(10-6)13-2/h4-5H,3H2,1-2H3
InChI Key:
DOJUQNDTUGUKLL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccnc(n1)SC
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.046g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.24g/mol
Monoisotopic Mass:
198.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties