Thiirane

An organic compound, C2H4S, 60.121 g/mol. Boiling point decomposes at 57 °C, melting point -109 °C, as published.

verified recordOrganic compound6 measured properties

Identifiers

Molecular formula: C₂H₄S
Molecular weight: 60.121 g/mol
Exact mass: 60.003371 g/mol
IUPAC name: thiirane
SMILES: C1CS1
InChI: InChI=1S/C2H4S/c1-2-3-1/h1-2H2
InChIKey: VOVUARRWDCVURC-UHFFFAOYSA-N

Open in ReactionLens Use in reaction prediction

Measured properties

Published measurements, each with its source. Two readings of one property are both shown, in the units each used.

Boiling Point: decomposes at 57 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Melting Point: -109 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Density: 1.0130 g/cu cm at 20 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Solubility: Slightly soluble in ethanol and ether; soluble in acetone and chloroformmeasured · Hazardous Substances Data Bank (HSDB)
Vapor Pressure: 250.0 [mmHg]measured · Haz-Map, Information on Hazardous Chemicals and Occupational Diseases; 250 mm Hg at 25 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Refractive Index: Index of refraction: 1.4935 at 20 °Cmeasured · Lide, D.R. CRC Handbook of Chemistry and Physics 86TH Edition 2005-2006. CRC Press, Taylor & Francis, Boca Raton, FL 2005, p. 3-484

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

Molecular weight: 60.12 g/molcalculated · reference compound database; Average mass of one molecule, from reference compound database.
Exact mass: 60.0033713 Dacalculated · reference compound database; Mass of the most common isotopic form.
XLogP3: 0.6calculated · reference compound database; Estimated oil/water partition, computed by reference compound database.
Polar surface area: 25.3 Å²calculated · reference compound database; Polar surface area as computed by reference compound database.
Complexity: 10calculated · reference compound database; A rough measure of how intricate the structure is.
H-bond donors: 0calculated · reference compound database
H-bond acceptors: 1calculated · reference compound database
logP: 0.7332calculated · chemistry engine; Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area: 0 Å²calculated · chemistry engine; Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors: 0calculated · chemistry engine; Atoms that can donate a hydrogen bond.
H-bond acceptors: 1calculated · chemistry engine; Atoms that can accept a hydrogen bond.
Rotatable bonds: 0calculated · chemistry engine; Single bonds the molecule can freely twist around.
Molar refractivity: 17.325 cm³/molcalculated · chemistry engine; Relates to the molecule's polarisability.
Fraction sp³ carbons: 1calculated · chemistry engine; Share of carbon atoms with tetrahedral bonding.
QED drug-likeness: 0.3713calculated · chemistry engine; Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

S Sulfur1 atom · 53.3% by mass
C Carbon2 atoms · 40.0% by mass
H Hydrogen4 atoms · 6.7% by mass

Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

Structure

Heavy atoms, hydrogen excluded: 3
Total atoms, hydrogen included: 7
Rings: 1
Aromatic rings: 0
Stereocentres: 0
Formal charge: 0

The molecule in three dimensions

Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

Reactions it appears in

No documented reaction with a written procedure and a source involves Thiirane yet.

Other names for it

The systematic name on this record is thiirane.

The sources also call it ETHYLENE SULFIDE, Thiacyclopropane, Ethylene sulphide, 2,3-Dihydrothiirene, Sulfurane, Thiiran, Ethylene episulfide, Ethylene episulphide, Aethylensulfid, Thiirene, 2,3-dihydro-, DTXSID3049411.

Structurally related

Nothing structurally close to Thiirane has a page here yet.

Where these values came from

reference compound database9865
compound record
chemistry engine
structure perception

compound record.

What this page does not claim

Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.