Home Carboxys Ethyl 5-MethylsulfanylpyriMidine-4-carboxylate

Ethyl 5-MethylsulfanylpyriMidine-4-carboxylate

CAS No.:
64224-61-9
Catalog Number:
AG00EKUS
Molecular Formula:
C8H10N2O2S
Molecular Weight:
198.2422
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Product Description
Catalog Number:
AG00EKUS
Chemical Name:
Ethyl 5-MethylsulfanylpyriMidine-4-carboxylate
CAS Number:
64224-61-9
Molecular Formula:
C8H10N2O2S
Molecular Weight:
198.2422
MDL Number:
MFCD16660481
IUPAC Name:
ethyl 5-methylsulfanylpyrimidine-4-carboxylate
InChI:
InChI=1S/C8H10N2O2S/c1-3-12-8(11)7-6(13-2)4-9-5-10-7/h4-5H,3H2,1-2H3
InChI Key:
OLDAOEDKIRWMRF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncncc1SC
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:
1.3  
Properties