Tetrahydrothiophene
Properties
- Molecular formula
- C4H8S
- Molar mass
- 88.17 g/mol
- Exact mass
- 88.0347 Da
- Density
- 0.9987 g/mL (at 20 °C)
- Melting point
- −96.16 °C
- Boiling point
- 121.12 °C
- Flash point
- 12 °C
- Water solubility
- insoluble
- logP
- 1.51Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H302 Harmful if swallowedAcute toxicity, oral
- H312 Harmful in contact with skinAcute toxicity, dermal
- H315 Causes skin irritationSkin corrosion/irritation
- H319 Causes serious eye irritationSerious eye damage/eye irritation
- H332 Harmful if inhaledAcute toxicity, inhalation
- H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
110-01-0SMILES
C1CCSC1InChIKey
RAOIDOHSFRTOEL-UHFFFAOYSA-NInChI
InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Thiophene, tetrahydro-
- Tetramethylene sulfide
- Thiacyclopentane
- Thilane
- Thiolane
- Thiophane
- Tetrahydrothiophen
- THT
- NSC 5272
Reactions
Work with Tetrahydrothiophene
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
Thiane1613-51-089 % similar
Thietane287-27-478 % similar
Pentyl sulfide872-10-657 % similar
1,4-Dithiane505-29-356 % similar
Dodecyl sulfide2469-45-653 % similar
Dioctyl sulfide2690-08-653 % similar
1-(Hexadecylthio)hexadecane3312-77-453 % similar
Diheptyl sulfide629-65-253 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds