Basic information
- CAS
5862-62-4- Standard SMILES
CC(C)(C)SCCSC(C)(C)C- InChIKey
HPSWXOHTKYJSJJ-UHFFFAOYSA-N- Molecular formula
- C10H22S2
- Average molar mass
- 206.4 g/mol
- Monoisotopic mass
- 206.11629305
Names & identifiers
- Preferred name
- 1,2-Bis(tert-butylthio)ethane
- IUPAC
- 2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane
- English name
- 2,2,7,7-Tetramethyl-3,6-dithiaoctane
- Molecular formula
- C10H22S2
- Molecular weight
- 206.41
Names & synonyms
2,2,7,7-tetramethyl-3,6-dithiaoctane5862-62-41,2-DI-tert-BUTYLMERCAPTOETHANE1,2-Bis(tert-butylthio)ethane71522-78-6Ethane, 1,2-bis(tert-butylthio)-Propane, 2,2'-[1,2-ethanediylbis(thio)]bis[2-methyl-2-{[2-(tert-butylsulfanyl)ethyl]sulfanyl}-2-methylpropaneSCHEMBL3391323DTXSID80974159HPSWXOHTKYJSJJ-UHFFFAOYSA-NDB-302051
Show more names
NS00122019D88863Propane, 2,2'-[1,2-ethanediylbis(thio)]bis*2-methyl-2-([2-(tert-Butylsulfanyl)ethyl]sulfanyl)-2-methylpropane #
Database identifiers
- CAS
5862-62-4、71522-78-6- PubChem CID
- 545381
- DTXSID
DTXSID80974159- EC Number
- 275-595-5
- Nikkaji
- J101.714D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 101
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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