1,3-Oxathiolane-5-methanol, 2-phenyl-2-propyl-, carbamate
Completing data — refresh the page later to see the latest
Basic information
- CAS
24606-92-6- Standard SMILES
CCCC1(c2ccccc2)OC(COC(N)=O)CS1- InChIKey
OSWDWOHNDRRUGN-UHFFFAOYSA-N- Molecular formula
- C14H19NO3S
- Average molar mass
- 281.37 g/mol
- Monoisotopic mass
- 281.10856464
Names & identifiers
- Preferred name
- 1,3-Oxathiolane-5-methanol, 2-phenyl-2-propyl-, carbamate
- IUPAC
- (2-phenyl-2-propyl-1,3-oxathiolan-5-yl)methyl carbamate
- English name
- 2-Phenyl-2-propyl-1,3-oxathiolane-5-methanol carbamate
- Molecular formula
- C14H19NO3S
- Molecular weight
- 281.37
Names & synonyms
24606-92-61,3-Oxathiolane-5-methanol, 2-phenyl-2-propyl-, carbamateRefChem:1052969BRN 12564592-Phenyl-2-propyl-1,3-oxathiolane-5-methanol carbamate5-19-02-00582 (Beilstein Handbook Reference)DTXSID80947500(2-Phenyl-2-propyl-1,3-oxathiolan-5-yl)methyl hydrogen carbonimidate1,3-Oxathiolane-5-methanol, 2-phenyl-2-propyl-, 5-carbamate
Database identifiers
- CAS
24606-92-6- PubChem CID
- 212628
- DTXSID
DTXSID80947500- Nikkaji
- J65.698D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Boiling point
- 469.4 · 469.4±45.0 °C(Predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- pka
- 13.23 · 13.23±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…