Ethyl 5-Bromo-1,3,4-thiadiazole-2-carboxylate - CAS 1030613-07-0
Catalog: |
BB001010 |
Product Name: |
Ethyl 5-Bromo-1,3,4-thiadiazole-2-carboxylate |
CAS: |
1030613-07-0 |
Synonyms: |
5-bromo-1,3,4-thiadiazole-2-carboxylic acid ethyl ester; ethyl 5-bromo-1,3,4-thiadiazole-2-carboxylate |
IUPAC Name: | ethyl 5-bromo-1,3,4-thiadiazole-2-carboxylate |
Description: | Ethyl 5-Bromo-1,3,4-thiadiazole-2-carboxylate can be used as reactant/reagent in preparation of hydroxyalkyl thiadiazole derivatives as antibacterials. |
Molecular Weight: | 237.07 |
Molecular Formula: | C5H5BrN2O2S |
Canonical SMILES: | CCOC(=O)C1=NN=C(S1)Br |
InChI: | InChI=1S/C5H5BrN2O2S/c1-2-10-4(9)3-7-8-5(6)11-3/h2H2,1H3 |
InChI Key: | KDZLTNORBKZJKE-UHFFFAOYSA-N |
LogP: | 1.47730 |
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-2021089683-A1 | Inhibitors of adrenoreceptor adrac2 | 20191106 |
TW-202033505-A | Novel nitrone compounds and use thereof | 20181105 |
US-2020048242-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20180809 |
US-11053235-B2 | Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases | 20180809 |
WO-2020001448-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20180626 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.92551 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.92551 |
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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