Basic information
- CAS
75434-65-0- Standard SMILES
CCOC(=O)CSCC1CCCCO1- InChIKey
QQZPSPWHZJJZOT-UHFFFAOYSA-N- Molecular formula
- C10H18O3S
- Average molar mass
- 218.32 g/mol
- Monoisotopic mass
- 218.09766561
Names & identifiers
- Preferred name
- Ethyl 2-[[(tetrahydro-2H-pyran-2-yl)methyl]thio]acetate
- IUPAC
- ethyl 2-(oxan-2-ylmethylsulfanyl)acetate
Names & synonyms
Ethyl 2-[[(tetrahydro-2H-pyran-2-yl)methyl]thio]acetateDTXSID70120488475434-65-0Ethyl {[(oxan-2-yl)methyl]sulfanyl}acetate
Database identifiers
- CAS
75434-65-0- PubChem CID
- 12641007
- DTXSID
DTXSID701204884
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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