methyl 5-bromothiazole-4-carboxylate - CAS 913836-22-3
Catalog: |
BB040159 |
Product Name: |
methyl 5-bromothiazole-4-carboxylate |
CAS: |
913836-22-3 |
Synonyms: |
5-bromo-4-thiazolecarboxylic acid methyl ester; methyl 5-bromo-1,3-thiazole-4-carboxylate |
IUPAC Name: | methyl 5-bromo-1,3-thiazole-4-carboxylate |
Description: | methyl 5-bromothiazole-4-carboxylate (CAS# 913836-22-3) is a useful research chemical. |
Molecular Weight: | 222.06 |
Molecular Formula: | C5H4BrNO2S |
Canonical SMILES: | COC(=O)C1=C(SC=N1)Br |
InChI: | InChI=1S/C5H4BrNO2S/c1-9-5(8)3-4(6)10-2-7-3/h2H,1H3 |
InChI Key: | AUJMFWXVFMHABB-UHFFFAOYSA-N |
Boiling Point: | 276 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.759 g/cm3 |
MDL: | MFCD08275713 |
LogP: | 1.69220 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021300912-A1 | Aryl hydrocarbon receptor (ahr) agonists and uses thereof | 20191220 |
WO-2021127302-A1 | 2-(1h-indole-3-carbonyl)-thiazole-4-carboxamide derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders | 20191220 |
AU-2018339068-A1 | Combination pharmaceutical agents as RSV inhibitors | 20170929 |
CA-3077309-A1 | Combination pharmaceutical agents as rsv inhibitors | 20170929 |
TW-201919640-A | Combination agent as an RSV inhibitor | 20170929 |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.91461 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.91461 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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