Basic information
- CAS
59416-51-2- Standard SMILES
CC(=O)Sc1cccc2cccc(S)c12- InChIKey
NGTBTKZPGUOBAI-UHFFFAOYSA-N- Molecular formula
- C12H10OS2
- Average molar mass
- 234.3 g/mol
- Monoisotopic mass
- 234.01730729
Names & identifiers
- Preferred name
- S-(8-Sulfanylnaphthalen-1-yl) ethanethioate
- IUPAC
- S-(8-sulfanylnaphthalen-1-yl) ethanethioate
Names & synonyms
S-(8-Sulfanylnaphthalen-1-yl) ethanethioate59416-51-2DTXSID30787155
Database identifiers
- CAS
59416-51-2- PubChem CID
- 71363640
- DTXSID
DTXSID30787155
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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