Basic information
- CAS
23619-77-4- Standard SMILES
[N-]=[N+]=c1c2ccccc2sc2ccccc12- InChIKey
LSHYFRWUYRTWEY-UHFFFAOYSA-N- Molecular formula
- C13H8N2S
- Average molar mass
- 224.28 g/mol
- Monoisotopic mass
- 224.04081944
Names & identifiers
- Preferred name
- 9-Diazo-9H-thioxanthene
- IUPAC
- 9-diazothioxanthene
Names & synonyms
9-Diazo-9H-thioxanthene23619-77-4DTXSID60495034RefChem:313079DTXCID30445844
Database identifiers
- CAS
23619-77-4- PubChem CID
- 12374826
- DTXSID
DTXSID60495034- Nikkaji
- J3.406.469E
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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