Basic information
- CAS
77853-39-5- Standard SMILES
c1ccc2cc(C3SCCS3)ccc2c1- InChIKey
JLPXZRUZXJIYSS-UHFFFAOYSA-N- Molecular formula
- C13H12S2
- Average molar mass
- 232.4 g/mol
- Monoisotopic mass
- 232.03804273
Names & identifiers
- Preferred name
- 2-(Naphthalen-2-yl)-1,3-dithiolane
- IUPAC
- 2-naphthalen-2-yl-1,3-dithiolane
Names & synonyms
77853-39-52-(naphthalen-2-yl)-1,3-dithiolaneNSC156155DTXSID10999057NSC-156155
Database identifiers
- CAS
77853-39-5- PubChem CID
- 291202
- DTXSID
DTXSID10999057- Nikkaji
- J403.669G
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
- 15
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…