1,4-Oxathiane
Properties
- Molecular formula
- C4H8OS
- Molar mass
- 104.17 g/mol
- Exact mass
- 104.0296 Da
- Density
- 1.1178 g/mL (at 20 °C)
- Melting point
- 30 °C
- Boiling point
- 147 °C
- logP
- 0.75Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation89.1% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation87% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
15980-15-1SMILES
C1CSCCO1InChIKey
JBYHSSAVUBIJMK-UHFFFAOYSA-NInChI
InChI=1S/C4H8OS/c1-3-6-4-2-5-1/h1-4H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 1,4-Oxathiin, 2,3,5,6-tetrahydro-
- 1,4-Thioxane
- p-Thioxane
- 1-Oxa-4-thiacyclohexane
- 1-Thia-4-oxacyclohexane
- NSC 49179
Work with 1,4-Oxathiane
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,4-Dioxane123-91-142 % similar
18-Crown-617455-13-942 % similar
12-Crown-4294-93-942 % similar
15-Crown-533100-27-542 % similar
Thiirane420-12-242 % similar
1,4-Dithiane505-29-342 % similar
Ethylene oxide75-21-842 % similar
Tetrahydrofuran109-99-936 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.