Basic information
- CAS
85418-01-5- Standard SMILES
[Cl-].c1ccc2cc3[s+]snc3cc2c1- InChIKey
DDAMVQBOGGLKKM-UHFFFAOYSA-M- Molecular formula
- C10H6ClNS2
- Average molar mass
- 239.7 g/mol
- Monoisotopic mass
- 238.9630192
Names & identifiers
- Preferred name
- Naphtho[2,3-d][1,2,3]dithiazol-1-ium chloride
- IUPAC
- benzo[f][1,2,3]benzodithiazol-1-ium chloride
Names & synonyms
NSC621355naphtho[2,3-d][1,2,3]dithiazol-1-ium chloride85418-01-5CHEMBL1996821DTXSID70326901NSC-621355
Database identifiers
- CAS
85418-01-5- PubChem CID
- 359792
- DTXSID
DTXSID70326901- ChEMBL
CHEMBL1996821
Properties
Computed structural properties
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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