Methyl 3-oxotetrahydrothiophene-2-carboxylate - CAS 2689-69-2
Catalog: |
BB019401 |
Product Name: |
Methyl 3-oxotetrahydrothiophene-2-carboxylate |
CAS: |
2689-69-2 |
Synonyms: |
methyl 3-oxothiolane-2-carboxylate |
IUPAC Name: | methyl 3-oxothiolane-2-carboxylate |
Description: | Methyl 3-oxotetrahydrothiophene-2-carboxylate (CAS# 2689-69-2) is a useful research chemical compound. |
Molecular Weight: | 160.19 |
Molecular Formula: | C6H8O3S |
Canonical SMILES: | COC(=O)C1C(=O)CCS1 |
InChI: | InChI=1S/C6H8O3S/c1-9-6(8)5-4(7)2-3-10-5/h5H,2-3H2,1H3 |
InChI Key: | TUSSXVYKOOVOID-UHFFFAOYSA-N |
Boiling Point: | 232-254 °C |
Density: | 1.281 g/cm3 |
MDL: | MFCD00156156 |
LogP: | 0.23400 |
GHS Hazard Statement: | H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-201639845-A | Novel heteroaryl and heterocyclic compounds, compositions and methods thereof | 20150129 |
WO-2016119707-A1 | Novel heteroaryl and heterocycle compounds, compositions and methods | 20150129 |
US-2014228286-A1 | Specific pde4b-inhibitors for the treatment of diabetes mellitus | 20130214 |
WO-2014124860-A1 | Specific pde4b-inhibitors for the treatment of diabetes mellitus | 20130214 |
AU-2013334236-A1 | Heteroaryl inhibitors of PDE4 | 20121025 |
PMID | Publication Date | Title | Journal |
17181169 | 20061228 | Synthesis and anti-human immunodeficiency virus activity of 4'-branched (+/-)-4'-thiostavudines | Journal of medicinal chemistry |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.01941529 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.01941529 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.7 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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