5-(Naphthalen-2-yl)-2,3-dihydro-1,4-dithiine
Basic information
- CAS
869097-50-7- Standard SMILES
C1=C(c2ccc3ccccc3c2)SCCS1- InChIKey
DRXBZNWTSYTXON-UHFFFAOYSA-N- Molecular formula
- C14H12S2
- Average molar mass
- 244.4 g/mol
- Monoisotopic mass
- 244.03804273
Names & identifiers
- Preferred name
- 5-(Naphthalen-2-yl)-2,3-dihydro-1,4-dithiine
- IUPAC
- 5-naphthalen-2-yl-2,3-dihydro-1,4-dithiine
Names & synonyms
DTXSID50833168869097-50-75-(Naphthalen-2-yl)-2,3-dihydro-1,4-dithiine
Database identifiers
- CAS
869097-50-7- PubChem CID
- 71413655
- DTXSID
DTXSID50833168
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…