1,1-Ethanedithiol

HCID 33645

Notes Reactions

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Basic information

CAS: 26914-40-9
Standard SMILES: CC(S)S
InChIKey: DHBXNPKRAUYBTH-UHFFFAOYSA-N
Molecular formula: C2H6S2
Average molar mass: 94.2 g/mol
Monoisotopic mass: 93.99109219

Names & identifiers

Preferred name: 1,1-Ethanedithiol
IUPAC: ethane-1,1-dithiol

Names & synonyms

ethane-1,1-dithiol1,1-EthanedithiolFEMA No. 411169382-62-36E52Q3WL23DTXSID10989195RefChem:1051832DTXCID801416325639-189-5ETHANEDITHIOL26914-40-9ethane dithiol

Show more names

UNII-6E52Q3WL23Ethane-1,1-dithiol [FIFH]EINECS 248-103-1SCHEMBL330158SCHEMBL562304SCHEMBL624854SCHEMBL4629335SCHEMBL11043327

Database identifiers

CAS: 26914-40-9、69382-62-3
PubChem CID: 33645
DTXSID: DTXSID10989195
UNII: 6E52Q3WL23
EC Number: 248-103-1、639-189-5
Nikkaji: J2.814.782A

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 4
Formal charge: 0
Complexity: 11.5

Experimental & physicochemical properties

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.829-0.833

Flavoring AgentsEU Flavoring substances

Solubility · 2 items

Soluble in water

Soluble (in ethanol)

Boiling PointProduct distils at 71-78 °C

Refractive Index1.369-1.375

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.