1,3-Dithiolane

HCID 20970CAS 4829-04-3

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Basic information

Standard SMILES: C1CSCS1
InChIKey: IMLSAISZLJGWPP-UHFFFAOYSA-N
Molecular formula: C3H6S2
Average molar mass: 106.215 g/mol
Monoisotopic mass: 105.99109219

Names & identifiers

Preferred name: 1,3-Dithiolane
IUPAC: 1,3-Dithiolane
English name: 1,3-DITHIOLANE
Molecular formula: C3H6S2
Molecular weight: 106.21

Names & synonyms

1,3-DITHIOLANE1,3-Dithiolane 97%1,3-Dithiolane,99%1,3-Dithiacyclopentane

Database identifiers

CAS: 4829-04-3
PubChem CID: 20970
DTXSID: DTXSID90197473
ChEBI: CHEBI:38079
UNII: 341G58G6YL
Nikkaji: J91.134H

Properties

Physicochemical properties

Melting point: -50 °C · -50°C
Boiling point: 183 °C · 183 °C (lit.)
Density: 1.235 g/mL · 1.235 g/mL at 25 °C (lit.)
refractive index: 1.599 · 1.599
Flash point: 68 °C · 68°C
form: liquid
Odor: 0.1 % · at 0.10 % in dipropylene glycol. sweet sulfurous onion
Odor Type: sulfurous
Specific Heat Capacity: 0.8 J/ · Cp(gas): 0.8 J/(g·K), at 25℃
BRN: 102455 · 102455
InChI: 1S/C3H6S2/c1-2-5-3-4-1/h1-3H2
InChIKey: IMLSAISZLJGWPP-UHFFFAOYSA-N
SMILES: C1CSCS1
LogP: 0.555 · 0.555 (est)
CAS DataBase Reference: 4829 · 4829-04-3(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 341 G58G6YL · 341G58G6YL
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Safety Statements: 23 · 23-24/25
RIDADR: 3334 · 3334
WGK Germany: 3 · 3
RTECS: 511000 · JP0511000
HS Code: 2934999090 · 2934999090
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

Safety data

wgk: 3
rtecs: JP0511000
ridadr: 3334
hs_code: 2934999090
safety_code: 23-24/25
Storage Class: 10 - Combustible liquids

Chemistry & industry

Applications

Uses1,3-Dithiolane ,a sulfur containing heterocyclic building block, is a cyclic thioether. Fragmentation modes of 1,3-oxathiolane under electron-impact have been investigated.

General Description1,3-Dithiolane ,a sulfur containing heterocyclic building block, is a cyclic thioether. Fragmentation modes of 1,3-oxathiolane under electron-impact have been investigated.