Basic information
- Standard SMILES
C1CCSSC1- InChIKey
CXWGKAYMVASWDQ-UHFFFAOYSA-N- Molecular formula
- C4H8S2
- Average molar mass
- 120.2 g/mol
- Monoisotopic mass
- 120.0067426
Names & identifiers
- Preferred name
- 1,2-Dithiane
- IUPAC
- dithiane
- English name
- Tetrahydro-1,2-dithiin
- Molecular formula
- C4H8S2
- Molecular weight
- 120.24
Names & synonyms
1,2-Dithianeo-Dithiane1,2-DithiacyclohexaneTetramethylene disulfide505-20-4C4KJF9QFR3NSC-521078CHEBI:47844DTXSID001026590RefChem:1052334DTXCID00818283Dithiane
Show more names
Tetrahydro-1,2-dithiin
1,2-dithian[1,2]dithianeNSC521078UNII-C4KJF9QFR3SCHEMBL2060651330-42-8SCHEMBL236784SCHEMBL237001
Database identifiers
- CAS
505-20-4、51330-42-8- PubChem CID
- 136335
- DTXSID
DTXSID001026590- ChEBI
CHEBI:47844- UNII
- C4KJF9QFR3
- Nikkaji
- J101.092A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 30
Experimental & physicochemical properties
Kovats Retention Index
1086；1088
1475；1489
Physicochemical properties
- Melting point
- 32.5 °C · 32.5°C
- Boiling point
- 199.5 °C · 199.5°C (estimate)
- Density
- 1.062 · 1.062 (estimate)
- refractive index
- 1.5981 · 1.5981 (estimate)
- form
- solid
- Odor
- 0.01 % · at 0.01 % in propylene glycol. sulfurous
- Odor Type
- sulfurous
- LogP
- 2.532 · 2.532 (est)
- FDA UNII
- 4 KJF9QFR3 · C4KJF9QFR3
Chemistry & industry
Additional notes
DefinitionChEBI: 1,2-dithiane is a dithiane.
Related reactions
6 records
Linked notes
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