Basic information
- CAS
289-16-7- Standard SMILES
C1SCSS1- InChIKey
QHGFEUAAQKJXDI-UHFFFAOYSA-N- Molecular formula
- C2H4S3
- Average molar mass
- 124.3 g/mol
- Monoisotopic mass
- 123.94751365
Overview
1,2,4-trithiolane is a trithiane.
Names & identifiers
- Preferred name
- 1,2,4-Trithiolane
- IUPAC
- 1,2,4-trithiolane
- English name
- 1,2,4-Trithiolane
- Molecular formula
- C2H4S3
- Molecular weight
- 124.25
Names & synonyms
1,2,4-TRITHIOLANE289-16-71,2,4-TrithiacyclopentaneOF568IX8QZDTXSID70183091RefChem:71564DTXCID80105582UNII-OF568IX8QZSCHEMBL1039752SCHEMBL14312155CHEBI:192387NS00124667
Show more names
Q27285625
Database identifiers
- CAS
289-16-7- PubChem CID
- 9258
- DTXSID
DTXSID70183091- ChEBI
CHEBI:192387- UNII
- OF568IX8QZ
- Nikkaji
- J130.633B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 24.1
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesCoriolis coupling
Flavoring AgentsEU Flavoring substances
Boiling Point224.00 to 226.00 °C. @ 760.00 mm Hg
Melting Point104.00 °C. @ 760.00 mm Hg
Vapor Pressure0.8 [mmHg]
Physical DescriptionSlightly soluble in water (6.7 g/L); [ChemIDplus]
Physicochemical properties
- FLAVIS Number
- 15.111 · 15.111 | 1,2,4-Trithiolane
- LogP
- 2.689 · 2.689 (est)
- FDA UNII
- 568 IX8QZ · OF568IX8QZ
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1,2,4-Trithiolane: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers1 total
Chemical sources Association Inc—
Additional notes
DefinitionChEBI: 1,2,4-trithiolane is a trithiane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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