2-Methyl-2-[(2-methylpropane-2-sulfinyl)sulfanyl]propane
Completing data — refresh the page later to see the latest
Basic information
- CAS
31562-40-0- Standard SMILES
CC(C)(C)SS(=O)C(C)(C)C- InChIKey
ZFKIFCIQBZYNIQ-UHFFFAOYSA-N- Molecular formula
- C8H18OS2
- Average molar mass
- 194.4 g/mol
- Monoisotopic mass
- 194.07990754
Names & identifiers
- Preferred name
- 2-Methyl-2-[(2-methylpropane-2-sulfinyl)sulfanyl]propane
- IUPAC
- 2-tert-butylsulfinylsulfanyl-2-methylpropane
- English name
- (S)-(-)-TERT-BUTYL TERT-BUTANETHIOSULFINATE
- Molecular formula
- C8H18OS2
- Molecular weight
- 194.36
Names & synonyms
2-METHYL-2-[(2-METHYLPROPANE-2-SULFINYL)SULFANYL]PROPANE2-methyl-2-((2-methylpropane-2-sulfinyl)sulfanyl)propaneRefChem:475013631-140-631562-40-0s-tert-butyl 2-methylpropane-2-sulfinothioateS-(tert-Butyl) 2-methyl-2-propanesulfinothioate2-tert-butylsulfinylsulfanyl-2-methylpropaneNSC122681CHEMBL1224168(R)-tert-Butanethiosulfinate2-tert-butylsulfinylsulfanyl-2-methyl-propane
Show more names
Aids126702Aids-126702S - (-) - tert butyl sulfite thiobutyl esterO-(Tert-butyl) 2-methylpropane-2-sulfinothioate2-Propanesulfinothioic acid, 2-methyl-, 1,1-dimethylethyl ester
(S)-(-)-tert-Butyl tert-butanethiosulfinatesulfinothioateNSC 122681SCHEMBL8480012SCHEMBL13754234SCHEMBL14919006tert-butyl tert-butanethiosulfinateBDBM50325653
Database identifiers
- CAS
31562-40-0- PubChem CID
- 275705
- ChEMBL
CHEMBL1224168- EC Number
- 631-140-6
- Nikkaji
- J2.008.576B、J599.388A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 21 °C · <21 °C
- Boiling point
- 88 · 88-102 °C(Press: 4 Torr)
- Density
- 1.055 · 1.055±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…