5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione
Basic information
- CAS
89479-41-4- Standard SMILES
CN(C)CCN(C)c1cccc2c1C(=O)c1cscc1C2=O- InChIKey
DLVLJLSBAHBMGL-UHFFFAOYSA-N- Molecular formula
- C17H18N2O2S
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.10889899
Names & identifiers
- Preferred name
- 5-[2-(Dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione
- IUPAC
- 5-[2-(dimethylamino)ethyl-methylamino]benzo[f][2]benzothiole-4,9-dione
Names & synonyms
NSC38146589479-41-4DTXSID60321783NSC-3814655-{[2-(DIMETHYLAMINO)ETHYL](METHYL)AMINO}NAPHTHO[2,3-C]THIOPHENE-4,9-DIONE
Database identifiers
- CAS
89479-41-4- PubChem CID
- 342971
- DTXSID
DTXSID60321783
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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