Basic information
- CAS
38025-51-3- Standard SMILES
CN(CCSC(=O)N1c2ccccc2C(C)(C)c2ccccc21)Cc1ccccc1.CS(=O)(=O)O- InChIKey
SWSUPUINLLOFQE-UHFFFAOYSA-N- Molecular formula
- C27H32N2O4S2
- Average molar mass
- 512.7 g/mol
- Monoisotopic mass
- 512.18034985
Names & identifiers
- Preferred name
- 10(9H)-Acridinecarbothioic acid, 9,9-dimethyl-, S-(2-(methyl(phenylmethyl)amino)ethyl) ester,monomethanesulfonate
- IUPAC
- S-[2-[benzyl(methyl)amino]ethyl] 9,9-dimethylacridine-10-carbothioate;methanesulfonic acid
Names & synonyms
Mo 128910(9H)-Acridinecarbothioic acid, 9,9-dimethyl-, S-(2-(methyl(phenylmethyl)amino)ethyl) ester,monomethanesulfonate38025-51-3DTXSID70191434RefChem:235582DTXCID80113925S-[2-[benzyl(methyl)amino]ethyl] 9,9-dimethylacridine-10-carbothioate;methanesulfonic acidMethanesulfonic acid--S-{2-[benzyl(methyl)amino]ethyl} 9,9-dimethylacridine-10(9H)-carbothioate (1/1)
Database identifiers
- CAS
38025-51-3- PubChem CID
- 217022
- DTXSID
DTXSID70191434
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 640
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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