Ethyl 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylate - CAS 959070-42-9
Catalog: |
BB041878 |
Product Name: |
Ethyl 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylate |
CAS: |
959070-42-9 |
Synonyms: |
4,6-dichloro-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester; ethyl 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxylate |
IUPAC Name: | ethyl 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxylate |
Description: | Ethyl 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylate (CAS# 959070-42-9) is a useful research chemical. |
Molecular Weight: | 267.13 |
Molecular Formula: | C8H8Cl2N2O2S |
Canonical SMILES: | CCOC(=O)C1=C(N=C(N=C1Cl)SC)Cl |
InChI: | InChI=1S/C8H8Cl2N2O2S/c1-3-14-7(13)4-5(9)11-8(15-2)12-6(4)10/h3H2,1-2H3 |
InChI Key: | HXNWMDJXIPNHBK-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.68200 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021063852-A1 | Substituted pyrimidine for the treatment and prophylaxis of hepatitis b virus infection | 20190930 |
WO-2020260857-A1 | Hydroxamate compounds as antagonists of the adenosine a2a receptor | 20190613 |
WO-2019122932-A1 | Pyrimidine derivatives and their use use for the treatment of cancer | 20171222 |
EP-3728236-A1 | Pyrimidine derivatives and their use use for the treatment of cancer | 20171222 |
US-2020339548-A1 | Pyrimidine derivatives and their use for the treatment of cancer | 20171222 |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.9683541 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.9683541 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 77.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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