3-Hexyl-1lambda~4~-thiolan-1-one
Basic information
- CAS
29711-02-2- Standard SMILES
CCCCCCC1CCS(=O)C1- InChIKey
YIMUSBYGQWKFIX-UHFFFAOYSA-N- Molecular formula
- C10H20OS
- Average molar mass
- 188.33 g/mol
- Monoisotopic mass
- 188.12348643
Names & identifiers
- Preferred name
- 3-Hexyl-1lambda~4~-thiolan-1-one
- IUPAC
- 3-hexylthiolane 1-oxide
Names & synonyms
29711-02-2DTXSID709521683-Hexyl-1lambda~4~-thiolan-1-oneRefChem:1067916DTXCID301380268Tetrahydro-3-hexylthiophene 1-oxideBRN 6499748Thiophene, tetrahydro-3-hexyl-, 1-oxideCHEMBL334894SCHEMBL10492429
Database identifiers
- CAS
29711-02-2- PubChem CID
- 207343
- DTXSID
DTXSID70952168- ChEMBL
CHEMBL334894
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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