Basic information
- CAS
107223-83-6- Standard SMILES
S=C1CCCCCCO1- InChIKey
DWBSVXJFSAYWDV-UHFFFAOYSA-N- Molecular formula
- C7H12OS
- Average molar mass
- 144.24 g/mol
- Monoisotopic mass
- 144.06088618
Names & identifiers
- Preferred name
- 2-Oxocanethione
- IUPAC
- oxocane-2-thione
Names & synonyms
2-Oxocanethione107223-83-6DTXSID50437105RefChem:264932DTXCID00387929Oxocane-2-thioneSCHEMBL30975139
Database identifiers
- CAS
107223-83-6- PubChem CID
- 10240934
- DTXSID
DTXSID50437105
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…