Home Carboxys DiMethyl 2-(Methylthio)pyriMidine-4,5-dicarboxylate

DiMethyl 2-(Methylthio)pyriMidine-4,5-dicarboxylate

CAS No.:
132973-51-4
Catalog Number:
AG00A870
Molecular Formula:
C9H10N2O4S
Molecular Weight:
242.2517
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Product Description
Catalog Number:
AG00A870
Chemical Name:
DiMethyl 2-(Methylthio)pyriMidine-4,5-dicarboxylate
CAS Number:
132973-51-4
Molecular Formula:
C9H10N2O4S
Molecular Weight:
242.2517
MDL Number:
MFCD13195438
IUPAC Name:
dimethyl 2-methylsulfanylpyrimidine-4,5-dicarboxylate
InChI:
InChI=1S/C9H10N2O4S/c1-14-7(12)5-4-10-9(16-3)11-6(5)8(13)15-2/h4H,1-3H3
InChI Key:
RNPZWHNWKHSOFI-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(SC)ncc1C(=O)OC
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.036g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.249g/mol
Monoisotopic Mass:
242.036g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties