chempirical

1,4-Oxathiane

C4H8OSCAS 15980-15-1104.17 g/mol

Open in Covalent MOL file
SO
EtherSulfide

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

Identifiers

CAS number
15980-15-1
SMILES
C1CSCCO1
InChIKey
JBYHSSAVUBIJMK-UHFFFAOYSA-N
InChI
InChI=1S/C4H8OS/c1-3-6-4-2-5-1/h1-4H2

Weigh 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. All similar compounds

Same formula

1-(Methylthio)-2-propanone14109-72-9 Tetramethylene sulfoxide1600-44-8 Methional3268-49-3 3-Mercapto-2-butanone40789-98-8 S-Methyl thiopropionate5925-75-7 S-Ethyl thioacetate625-60-5

Elsewhere

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