Basic information
- CAS
42576-20-5- Standard SMILES
CC1(C)OC(CCl)CS1- InChIKey
AOCXFMADTQAYDD-UHFFFAOYSA-N- Molecular formula
- C6H11ClOS
- Average molar mass
- 166.67 g/mol
- Monoisotopic mass
- 166.0219138
Names & identifiers
- Preferred name
- 5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane
- IUPAC
- 5-(chloromethyl)-2,2-dimethyl-1,3-oxathiolane
Names & synonyms
5-(Chloromethyl)-2,2-dimethyl-1,3-oxathiolane42576-20-5BRN 01045101,3-OXATHIOLANE, 5-(CHLOROMETHYL)-2,2-DIMETHYL-DTXSID60962574AKOS006383217
Database identifiers
- CAS
42576-20-5- PubChem CID
- 39232
- DTXSID
DTXSID60962574- Nikkaji
- J78.513J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 105
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…