Tetrahydrothiophene 1-oxide - CAS 1600-44-8
Catalog: |
BB011598 |
Product Name: |
Tetrahydrothiophene 1-oxide |
CAS: |
1600-44-8 |
Synonyms: |
thiolane 1-oxide |
IUPAC Name: | thiolane 1-oxide |
Description: | Tetrahydrothiophene 1-oxide (CAS# 1600-44-8) is a useful research chemical. |
Molecular Weight: | 104.17 |
Molecular Formula: | C4H8OS |
Canonical SMILES: | C1CCS(=O)C1 |
InChI: | InChI=1S/C4H8OS/c5-6-3-1-2-4-6/h1-4H2 |
InChI Key: | ISXOBTBCNRIIQO-UHFFFAOYSA-N |
Boiling Point: | 235-237 °C |
Density: | 1.15 g/cm3 |
Appearance: | Dark brown liquid |
MDL: | MFCD00005477 |
LogP: | 1.39460 |
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 |
WO-2015200670-A1 | Ink composition including polyurethane | 20140626 |
WO-2015193216-A1 | Pyrazolyl-triazolyl-pyridines as pest-control agents | 20140618 |
WO-2015193673-A1 | Novel pharmaceutical formulations and their use in the treatment of periodontal disease | 20140618 |
US-2015322073-A1 | Benzimidazole Derivatives | 20140509 |
WO-2015169734-A1 | Pyrazoles for controlling invertebrate pests | 20140505 |
PMID | Publication Date | Title | Journal |
22330206 | 20120401 | Identification of pharmacophore in bioactive metal complexes: Synthesis, spectroscopic characterization and application | European journal of medicinal chemistry |
21688821 | 20110805 | Formation of carbon-sulfur and carbon-selenium bonds by palladium-catalyzed decarboxylative cross-couplings of hindered 2,6-dialkoxybenzoic acids | The Journal of organic chemistry |
21581777 | 20090110 | fac-Aqua-dichloridotris(tetra-methyl-ene sulfoxide-κS)ruthenium(II) | Acta crystallographica. Section E, Structure reports online |
18401853 | 20080701 | 1H chemical shifts in NMR. Part 27: proton chemical shifts in sulfoxides and sulfones and the magnetic anisotropy, electric field and steric effects of the SO bond | Magnetic resonance in chemistry : MRC |
16834370 | 20060719 | Photochemical route to the synthesis of thiolane 1-oxides | Journal of the American Chemical Society |
Complexity: | 61.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 104.02958605 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 104.02958605 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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