methyl 2-chlorothiazole-4-carboxylate - CAS 850429-61-7
Catalog: |
BB037427 |
Product Name: |
methyl 2-chlorothiazole-4-carboxylate |
CAS: |
850429-61-7 |
Synonyms: |
2-chloro-4-thiazolecarboxylic acid methyl ester; methyl 2-chloro-1,3-thiazole-4-carboxylate |
IUPAC Name: | methyl 2-chloro-1,3-thiazole-4-carboxylate |
Description: | methyl 2-chlorothiazole-4-carboxylate (CAS# 850429-61-7) is a useful research chemical. |
Molecular Weight: | 177.61 |
Molecular Formula: | C5H4ClNO2S |
Canonical SMILES: | COC(=O)C1=CSC(=N1)Cl |
InChI: | InChI=1S/C5H4ClNO2S/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3 |
InChI Key: | PZLJTHDJLAXFAW-UHFFFAOYSA-N |
Boiling Point: | 271.2 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.456 g/cm3 |
Appearance: | Yellow powder |
MDL: | MFCD06659909 |
LogP: | 1.58310 |
Publication Number | Title | Priority Date |
WO-2021018237-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20190731 |
WO-2021018858-A1 | 6,7-dihydro-5h-pyrido[2,3-c]pyridazine derivatives and related compounds as bcl-xl protein inhibitors and pro-apoptotic agents for treating cancer | 20190729 |
WO-2019204354-A1 | Spirocyclic compounds | 20180416 |
CN-112312904-A | Spiro compounds | 20180416 |
EP-3781156-A1 | Spirocyclic compounds | 20180416 |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.9651272 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.9651272 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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