2-Ethoxy-4-hydroxythiazole-5-carbonitrile - CAS 59965-53-6
Catalog: |
BB030566 |
Product Name: |
2-Ethoxy-4-hydroxythiazole-5-carbonitrile |
CAS: |
59965-53-6 |
Synonyms: |
2-ethoxy-4-hydroxy-5-thiazolecarbonitrile; 2-ethoxy-4-hydroxy-1,3-thiazole-5-carbonitrile |
IUPAC Name: | 2-ethoxy-4-hydroxy-1,3-thiazole-5-carbonitrile |
Description: | 2-Ethoxy-4-hydroxythiazole-5-carbonitrile (CAS# 59965-53-6) is used as a reactant in the preparation of pesticidal organophosphorus thiazole derivatives. |
Molecular Weight: | 170.19 |
Molecular Formula: | C6H6N2O2S |
Canonical SMILES: | CCOC1=NC(=C(S1)C#N)O |
InChI: | InChI=1S/C6H6N2O2S/c1-2-10-6-8-5(9)4(3-7)11-6/h9H,2H2,1H3 |
InChI Key: | PMGJBSHMCHYQKW-UHFFFAOYSA-N |
LogP: | 1.11908 |
Publication Number | Title | Priority Date |
FR-2319648-A2 | Insecticidal organo-phosphorus thiazoles - prepd. by cyclising a thio imido carbonate and treatment with dialkyl chloro-phosphate | 19750731 |
IE-42053-B1 | New organophosphorus thiazole derivatives, processes for preparing them and pesticidal compositions incorporating them | 19740920 |
US-4020076-A | Novel phosphoryloxy-thiazoles | 19740920 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.01499861 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.01499861 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 94.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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