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Home Carboxys 4-Amino-2-(ethylthio)-5-pyrimidinecarboxylic acid ethyl ester

4-Amino-2-(ethylthio)-5-pyrimidinecarboxylic acid ethyl ester

CAS No.:
778-97-2
Catalog Number:
AG0056W4
Molecular Formula:
C9H13N3O2S
Molecular Weight:
227.2834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$100
- +
1g
95%
In Stock USA
United States
$275
- +
Product Description
Catalog Number:
AG0056W4
Chemical Name:
4-Amino-2-(ethylthio)-5-pyrimidinecarboxylic acid ethyl ester
CAS Number:
778-97-2
Molecular Formula:
C9H13N3O2S
Molecular Weight:
227.2834
MDL Number:
MFCD00047375
IUPAC Name:
ethyl 4-amino-2-ethylsulfanylpyrimidine-5-carboxylate
InChI:
InChI=1S/C9H13N3O2S/c1-3-14-8(13)6-5-11-9(15-4-2)12-7(6)10/h5H,3-4H2,1-2H3,(H2,10,11,12)
InChI Key:
ODFLPYCOQXPONS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1N)SCC
NSC Number:
122026
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.073g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.282g/mol
Monoisotopic Mass:
227.073g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties