Ethyl 5-Chloro-1,3,4-thiadiazole-2-carboxylate - CAS 64837-49-6
Catalog: |
BB032562 |
Product Name: |
Ethyl 5-Chloro-1,3,4-thiadiazole-2-carboxylate |
CAS: |
64837-49-6 |
Synonyms: |
5-chloro-1,3,4-thiadiazole-2-carboxylic acid ethyl ester; ethyl 5-chloro-1,3,4-thiadiazole-2-carboxylate |
IUPAC Name: | ethyl 5-chloro-1,3,4-thiadiazole-2-carboxylate |
Description: | Ethyl 5-Chloro-1,3,4-thiadiazole-2-carboxylate (CAS# 64837-49-6) is a useful research chemical. |
Molecular Weight: | 192.62 |
Molecular Formula: | C5H5ClN2O2S |
Canonical SMILES: | CCOC(=O)C1=NN=C(S1)Cl |
InChI: | InChI=1S/C5H5ClN2O2S/c1-2-10-4(9)3-7-8-5(6)11-3/h2H2,1H3 |
InChI Key: | YQWCUJDSRXQJRN-UHFFFAOYSA-N |
Boiling Point: | 288.2 °C at 760 mmHg |
Density: | 1.462 g/cm3 |
Appearance: | Solid |
MDL: | MFCD11112114 |
LogP: | 1.36820 |
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 |
CN-111825657-A | Dual-function chimeric heterocyclic compound for targeted degradation of androgen receptor and application thereof | 20190418 |
WO-2020211822-A1 | A class of bifunctional chimeric heterocyclic compounds for targeted degradation of androgen receptors and use thereof | 20190418 |
JP-2020105148-A | Non-aryl heterocycle-substituted aromatic compound | 20181228 |
US-2020016140-A1 | Azole compounds as ubiquitin-specific protease usp7 inhibitors | 20170303 |
WO-2018160944-A1 | Azole compounds as ubiquitin-specific protease usp7 inhibitors | 20170303 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.9760263 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.9760263 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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