Basic information
- CAS
5927-70-8- Standard SMILES
CC1(C)CS(=O)(=O)OC1=O- InChIKey
UURBFMNWNPKPLM-UHFFFAOYSA-N- Molecular formula
- C5H8O4S
- Average molar mass
- 164.18 g/mol
- Monoisotopic mass
- 164.01432991
Names & identifiers
- Preferred name
- 4,4-Dimethyl-1,2lambda~6~-oxathiolane-2,2,5-trione
- IUPAC
- 4,4-dimethyl-2,2-dioxooxathiolan-5-one
Names & synonyms
5927-70-8DTXSID007871874,4-Dimethyl-1,2lambda~6~-oxathiolane-2,2,5-trioneRefChem:284972DTXCID507379304,4-dimethyl-1,2lambda6-oxathiolane-2,2,5-trione4,4-dimethyl-2,2-dioxooxathiolan-5-one4,4-dimethyl-1,2-oxathiolan-5-one 2,2-dioxideSCHEMBL5771484,4-DIMETHYL-1,2??-OXATHIOLANE-2,2,5-TRIONEFAA92770CS-0243075
Show more names
EN300-2585634,4-Dimethyl-1,2|E6-oxathiolane-2,2,5-trione4,4-dimethyl-1,2$l^{6}-oxathiolane-2,2,5-trione
Database identifiers
- CAS
5927-70-8- PubChem CID
- 71363674
- DTXSID
DTXSID00787187- EC Number
- 980-831-1
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 256
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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