Thietane
Basic information
- CAS
287-27-4- Standard SMILES
C1CSC1- InChIKey
XSROQCDVUIHRSI-UHFFFAOYSA-N- Molecular formula
- C3H6S
- Average molar mass
- 74.15 g/mol
- Monoisotopic mass
- 74.01902136
Overview
Thietane is an organosulfur heterocyclic compound containing a saturated four membered ring with 3 carbon atoms and 1 sulfur atom. It has a role as a metabolite. It is a saturated organic heteromonocyclic parent and an organosulfur heterocyclic compound.
Names & identifiers
- Preferred name
- Thietane
- IUPAC
- thietane
- English name
- Trimethylene sulfide
- Molecular formula
- C3H6S
- Molecular weight
- 74.14
Names & synonyms
ThietaneTrimethylene sulfide287-27-4THIACYCLOBUTANEPropane, 1,3-epithio-UNII-1O7C19QQDB1O7C19QQDB1,3-epithio propaneEINECS 206-015-0NSC 56443NSC-56443DTXSID7059773
Show more names
ThietanhietanethiethaneTHIACYCLOBUTANTrimethylensulfid1,3-Epithiopropanpropane,1,3-epithio-
CHEBI:87565RefChem:189390Trimethylene sulfide (8CI)DTXCID1037854206-015-0InChI=1/C3H6S/c1-2-4-3-1/h1-3HXSROQCDVUIHRSI-UHFFFAOYSA-NMFCD00042751
Database identifiers
- CAS
287-27-4- PubChem CID
- 9251
- DTXSID
DTXSID7059773- ChEBI
CHEBI:87565- UNII
- 1O7C19QQDB
- EC Number
- 206-015-0
- Nikkaji
- J2.563A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 17.2
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- -73.24 °C · -73.24°C
- Boiling point
- 94 · 94-94.5 °C (lit.)
- Density
- 1.028 g/mL · 1.028 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.510(lit.)
- Flash point
- 27 °F · 27 °F
- form
- liquid
- Specific Gravity
- 1.028 · 1.028
- color
- Colorless to Almost colorless
- Specific Heat Capacity
- 0.92 J/ · Cp(gas): 0.92 J/(g·K), at 25℃
- BRN
- 102383 · 102383
- InChI
- InChI=1S/C3H6S/c1-2-4-3-1/h1-3H2
- InChIKey
- XSROQCDVUIHRSI-UHFFFAOYSA-N
- SMILES
- S1CCC1
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, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 2
- hs_code
- 2934.99.9001
- risk_code
- 11-22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn
- safety_code
- 16
- hazard_class
- 3.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225-H302
- Hazard Classifications
- Acute Tox. 4 OralFlam. Liq. 2
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationThietane: INACTIVE
Additional notes
DefinitionChEBI: An organosulfur heterocyclic compound containing a saturated four membered ring with 3 carbon atom and 1 sulfur atom.
Related reactions
1 records
Compound notes
Loading…