[8-[2-(Dimethylamino)ethylamino]-9-oxothioxanthen-2-yl] 4-methylbenzenesulfonate
Basic information
- CAS
86456-32-8- Standard SMILES
Cc1ccc(S(=O)(=O)Oc2ccc3sc4cccc(NCCN(C)C)c4c(=O)c3c2)cc1- InChIKey
OZBUPHRPNZMLFW-UHFFFAOYSA-N- Molecular formula
- C24H24N2O4S2
- Average molar mass
- 468.6 g/mol
- Monoisotopic mass
- 468.1177496
Names & identifiers
- Preferred name
- [8-[2-(Dimethylamino)ethylamino]-9-oxothioxanthen-2-yl] 4-methylbenzenesulfonate
- IUPAC
- [8-[2-(dimethylamino)ethylamino]-9-oxothioxanthen-2-yl] 4-methylbenzenesulfonate
Names & synonyms
NSC37539086456-32-8DTXSID40321443NSC-375390[8-(2-dimethylaminoethylamino)-9-oxo-thioxanthen-2-yl] 4-methylbenzenesulfonate8-{[2-(Dimethylamino)ethyl]amino}-9-oxo-9H-thioxanthen-2-yl 4-methylbenzene-1-sulfonate8-{[2-(Dimethylamino)ethyl]amino}-9-oxo-9H-thioxanthen-2-yl 4-methylbenzenesulfonate
Database identifiers
- CAS
86456-32-8- PubChem CID
- 341819
- DTXSID
DTXSID40321443
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 746
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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