Basic information
- CAS
27819-48-3- Standard SMILES
CCN(CC)CCOC(=O)C1c2ccccc2Sc2ccccc21.Cl- InChIKey
RHFLEVIYXFQPAW-UHFFFAOYSA-N- Molecular formula
- C20H24ClNO2S
- Average molar mass
- 377.9 g/mol
- Monoisotopic mass
- 377.1216279
Names & identifiers
- Preferred name
- Thioxanthene-9-carboxylic acid, 2-(diethylamino)ethyl ester, hydrochloride
- IUPAC
- 2-(diethylamino)ethyl 9H-thioxanthene-9-carboxylate;hydrochloride
Names & synonyms
27819-48-3Thioxanthene-9-carboxylic acid, 2-(diethylamino)ethyl ester, hydrochloride2-(Diethylamino)ethyl thioxanthene-9-carboxylate hydrochlorideDTXSID60182139RefChem:385567DTXCID201046302-(Diethylamino)ethyl 9H-thioxanthene-9-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
27819-48-3- PubChem CID
- 214171
- DTXSID
DTXSID60182139
Properties
Computed structural properties
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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