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149771-08-4 | 4,5-Pyrimidinedicarboxylic acid, 2-(methylthio)-, 4,5-diethyl ester
CAS No: 149771-08-4 Catalog No: AG001M0P MDL No:MFCD14585002
Product Description
Catalog Number:
AG001M0P
Chemical Name:
4,5-Pyrimidinedicarboxylic acid, 2-(methylthio)-, 4,5-diethyl ester
CAS Number:
149771-08-4
Molecular Formula:
C11H14N2O4S
Molecular Weight:
270.3049
MDL Number:
MFCD14585002
IUPAC Name:
diethyl 2-methylsulfanylpyrimidine-4,5-dicarboxylate
InChI:
InChI=1S/C11H14N2O4S/c1-4-16-9(14)7-6-12-11(18-3)13-8(7)10(15)17-5-2/h6H,4-5H2,1-3H3
InChI Key:
RVHLRUKDQWAVPR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(SC)ncc1C(=O)OCC
NSC Number:
165442
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.303g/mol
Monoisotopic Mass:
270.067g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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