2-Thiepanone
Basic information
- CAS
17689-16-6- Standard SMILES
O=C1CCCCCS1- InChIKey
UCUOVADUXMCWOM-UHFFFAOYSA-N- Molecular formula
- C6H10OS
- Average molar mass
- 130.21 g/mol
- Monoisotopic mass
- 130.04523611
Names & identifiers
- Preferred name
- 2-Thiepanone
- IUPAC
- thiepan-2-one
- English name
- Thiepan-2-one
- Molecular formula
- C6H10OS
- Molecular weight
- 130.21
Names & synonyms
Thiepan-2-one2-Thiepanone17689-16-6epsilon-ThiocaprolactoneBRN 6855682Hexanoic acid, 6-mercapto-, epsilon-(thiolactone)DTXSID70170204RefChem:267296DTXCID2092695SCHEMBL1024256SCHEMBL1024257SCHEMBL1024258
Show more names
ε-Thiocaprolactone
SCHEMBL12817382MFCD01680442SY477208
Database identifiers
- CAS
17689-16-6- PubChem CID
- 87242
- DTXSID
DTXSID70170204- Nikkaji
- J48.706F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 90.5
Physicochemical properties
- Boiling point
- 210.93 °C · 210.93°C (rough estimate)
- Density
- 1.025 · 1.025 (estimate)
- refractive index
- 1.5115 · 1.5115 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…