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Basic information
- CAS
143338-44-7- Standard SMILES
O=C(OCC1OCCS1)c1ccccc1- InChIKey
PCXPPEVXIKTQGP-UHFFFAOYSA-N- Molecular formula
- C11H12O3S
- Average molar mass
- 224.28 g/mol
- Monoisotopic mass
- 224.05071524
Names & identifiers
- Preferred name
- 1,3-Oxathiolane-2-methanol, 2-benzoate
- IUPAC
- 1,3-oxathiolan-2-ylmethyl benzoate
Names & synonyms
143338-44-71,3-Oxathiolane-2-methanol, 2-benzoateDTXSID701296784RefChem:415390DTXCID201715690(1,3-oxathiolan-2-yl)methyl benzoate2-benzoyloxymethyl-1,3-oxathiolane2-(benzoyloxymethyl)-1,3-oxathiolane1,3-Oxathiolane-2-methanol, 2-benzoate, (2R)-SCHEMBL1087816PCXPPEVXIKTQGP-UHFFFAOYSA-NSB17851
Show more names
(+/-)-2-(benzoyloxymethyl)-1,3-oxathiolane2-[(phenylcarbonyloxy)methyl]-1,3-oxathiolane
Database identifiers
- CAS
143338-44-7- PubChem CID
- 11064076
- DTXSID
DTXSID701296784- EC Number
- 604-346-9
- Nikkaji
- J963.190I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 214
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (33 of 33) of all reports.
Not Classified
Aggregated GHS information provided per 33 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Related reactions
13 records
Compound notes
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