2-(1,3-Benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione
Basic information
- CAS
60463-63-0- Standard SMILES
O=C1C(Cl)=C(Sc2nc3ccccc3s2)C(=O)c2ccccc21- InChIKey
WJEAICBYVLRPDS-UHFFFAOYSA-N- Molecular formula
- C17H8ClNO2S2
- Average molar mass
- 357.8 g/mol
- Monoisotopic mass
- 356.9684985
Names & identifiers
- Preferred name
- 2-(1,3-Benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione
- IUPAC
- 2-(1,3-benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dione
Names & synonyms
60463-63-0NSC3377582-(1,3-benzothiazol-2-ylsulfanyl)-3-chloronaphthalene-1,4-dioneDTXSID20318856NSC-3377582-[(1,3-Benzothiazol-2-yl)sulfanyl]-3-chloronaphthalene-1,4-dione
Database identifiers
- CAS
60463-63-0- PubChem CID
- 333780
- DTXSID
DTXSID20318856
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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