Completing data — refresh the page later to see the latest
Basic information
- CAS
60575-31-7- Standard SMILES
O=C1c2ccccc2CCC1C1SCCS1- InChIKey
JZFCYFMJVXMRFT-UHFFFAOYSA-N- Molecular formula
- C13H14OS2
- Average molar mass
- 250.4 g/mol
- Monoisotopic mass
- 250.04860741
Names & identifiers
- Preferred name
- 2-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one
- IUPAC
- 2-(1,3-dithiolan-2-yl)-3,4-dihydro-2H-naphthalen-1-one
Names & synonyms
60575-31-7DTXSID709760212-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-oneRefChem:1060618DTXCID5014034023,4-Dihydro-2-(1,3-dithiolan-2-yl)-1(2H)-naphthalenone1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-2-(1,3-DITHIOLAN-2-YL)-
Database identifiers
- CAS
60575-31-7- PubChem CID
- 43364
- DTXSID
DTXSID70976021
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…