Basic information
- CAS
38044-65-4- Standard SMILES
CC1(C)c2ccccc2N(C(=O)SCCN2CCCCC2)c2ccccc21.CS(=O)(=O)O- InChIKey
MPOFNOASMHOZMN-UHFFFAOYSA-N- Molecular formula
- C24H32N2O4S2
- Average molar mass
- 476.7 g/mol
- Monoisotopic mass
- 476.18034985
Names & identifiers
- Preferred name
- 10(9H)-Acridinecarbothioic acid, 9,9-dimethyl-, S-(2-(1-piperidinyl)ethyl) ester, monomethanesulfonate
- IUPAC
- methanesulfonic acid;S-(2-piperidin-1-ylethyl) 9,9-dimethylacridine-10-carbothioate
Names & synonyms
Mo 132310(9H)-Acridinecarbothioic acid, 9,9-dimethyl-, S-(2-(1-piperidinyl)ethyl) ester, monomethanesulfonate38044-65-4S-(2-(1-Piperidinyl)ethyl) 9,9-dimethyl-10(9H)-acridinecarbothioate methanesulfonateRefChem:235578methanesulfonic acid;S-(2-piperidin-1-ylethyl) 9,9-dimethylacridine-10-carbothioateDTXSID80959007Methanesulfonic acid--S-[2-(piperidin-1-yl)ethyl] 9,9-dimethylacridine-10(9H)-carbothioate (1/1)
Database identifiers
- CAS
38044-65-4- PubChem CID
- 217045
- DTXSID
DTXSID80959007
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 583
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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