Ethyl 2-(Methylsulfonyl)pyrimidine-5-carboxylate - CAS 148550-51-0
Catalog: |
BB010321 |
Product Name: |
Ethyl 2-(Methylsulfonyl)pyrimidine-5-carboxylate |
CAS: |
148550-51-0 |
Synonyms: |
2-methylsulfonyl-5-pyrimidinecarboxylic acid ethyl ester; ethyl 2-methylsulfonylpyrimidine-5-carboxylate |
IUPAC Name: | ethyl 2-methylsulfonylpyrimidine-5-carboxylate |
Description: | Ethyl 2-(Methylsulfonyl)pyrimidine-5-carboxylate (CAS# 148550-51-0) is a useful research chemical compound. |
Molecular Weight: | 230.24 |
Molecular Formula: | C8H10N2O4S |
Canonical SMILES: | CCOC(=O)C1=CN=C(N=C1)S(=O)(=O)C |
InChI: | InChI=1S/C8H10N2O4S/c1-3-14-7(11)6-4-9-8(10-5-6)15(2,12)13/h4-5H,3H2,1-2H3 |
InChI Key: | SHVJIPVRIOSGCA-UHFFFAOYSA-N |
Boiling Point: | 407.7 °C at 760 mmHg |
Density: | 1.338 g/cm3 |
LogP: | 1.13760 |
Publication Number | Title | Priority Date |
AU-2017222960-A1 | Process for the separation of enantiomers of piperazine derivatives | 20160225 |
AU-2017222962-A1 | Acid addition salts of piperazine derivatives | 20160225 |
CA-3014376-A1 | Process for the separation of enantiomers of piperazine derivatives | 20160225 |
CA-3014572-A1 | Acid addition salts of piperazine derivatives | 20160225 |
EP-3419974-A1 | Process for the separation of enantiomers of piperazine derivatives | 20160225 |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.03612798 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.03612798 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 94.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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