Basic information
- CAS
80089-97-0- Standard SMILES
Oc1c2c(c3cccc4cccc1c43)=Nc1ccccc1S2- InChIKey
HTIUBXOEEOGASN-UHFFFAOYSA-N- Molecular formula
- C19H11NOS
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.05613515
Names & identifiers
- Preferred name
- Naphtho[1,8-ab]phenothiazin-7(13H)-one
- IUPAC
- 10-thia-3-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,11,13,15,17(21),18-decaen-12-ol
Names & synonyms
NSC354473Naphtho[1,8-ab]phenothiazin-7(13H)-one80089-97-0DTXSID80419575NSC-354473
Database identifiers
- CAS
80089-97-0- PubChem CID
- 337259
- DTXSID
DTXSID80419575
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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