Basic information
- CAS
5954-71-2- Standard SMILES
C[C@@H]1S[C@@H]1C- InChIKey
ZMJBHCIEMIVIFZ-ZXZARUISSA-N- Molecular formula
- C4H8S
- Average molar mass
- 88.17 g/mol
- Monoisotopic mass
- 88.03467143
Names & identifiers
- Preferred name
- cis-2,3-Dimethylthiirane
- IUPAC
- (2R,3S)-2,3-dimethylthiirane
- English name
- cis-2,3-dimethylthiirane
- Molecular formula
- C4H8S
- Molecular weight
- 88.17
Names & synonyms
cis-2,3-Dimethylthiirane(2r,3s)-2,3-dimethylthiiraneThiirane, 2,3-dimethyl-, cis-Thiirane, 2,3-dimethyl-, (2R,3S)-rel-EINECS 227-721-5DTXSID40884205RefChem:126390DTXCID501023660227-721-55954-71-2cis-Dimethylthiiranecis-2-Butene sulfide
Show more names
2α,3β-Dimethylthiirane(2S)-2β,3β-Dimethylthiirane(2R)-2α,3α-Dimethylthiirane(2α,3α)-2,3-Dimethylthiirane
cisdimethylthiiranecis-2-Butene episulfideZ-2,3-Dimethyl-thiiranecis-2,3-Dimethylepisulfide2,3-Dimethyl-cis-ThiiraneSCHEMBL2116781ZMJBHCIEMIVIFZ-ZXZARUISSA-N2,3-Dimethyl-(2R,3S)-rel-Thiirane
Database identifiers
- CAS
5954-71-2- PubChem CID
- 80053
- DTXSID
DTXSID40884205- EC Number
- 227-721-5
- Nikkaji
- J223.905A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 36.9
Physicochemical properties
- Boiling point
- 67.67 °C · 67.67°C (estimate)
- Density
- 0.91 · 0.9100
- refractive index
- 1.4637 · 1.4637 (estimate)
- EPA Substance Registry System
- 2 · Thiirane, 2,3-dimethyl-, (2R,3S)-rel- (5954-71-2)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H225-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
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, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Thiirane, 2,3-dimethyl-, cis-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H315-H225-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
General Manufacturing InformationThiirane, 2,3-dimethyl-, (2R,3S)-rel-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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