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583878-42-6 | Ethyl 4-chloro-6-methyl-2-(methylthio);pyrimidine-5-carboxylate
CAS No: 583878-42-6 Catalog No: AG003QA9 MDL No:MFCD08063161
Product Description
Catalog Number:
AG003QA9
Chemical Name:
Ethyl 4-chloro-6-methyl-2-(methylthio);pyrimidine-5-carboxylate
CAS Number:
583878-42-6
Molecular Formula:
C9H11ClN2O2S
Molecular Weight:
246.7138
MDL Number:
MFCD08063161
IUPAC Name:
ethyl 4-chloro-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate
InChI:
InChI=1S/C9H11ClN2O2S/c1-4-14-8(13)6-5(2)11-9(15-3)12-7(6)10/h4H2,1-3H3
InChI Key:
IVZWCVGIENDCRO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)nc(nc1Cl)SC
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.709g/mol
Monoisotopic Mass:
246.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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