Basic information
- CAS
31696-73-8- Standard SMILES
CN(C)CCCOc1ccc2sc3ccccc3c(=O)c2c1.Cl- InChIKey
OGVKQKLMONCNCB-UHFFFAOYSA-N- Molecular formula
- C18H20ClNO2S
- Average molar mass
- 349.9 g/mol
- Monoisotopic mass
- 349.0903277
Names & identifiers
- Preferred name
- Thioxanthen-9-one, 2-(3-(dimethylamino)propoxy)-, hydrochloride, hydrate
- IUPAC
- 2-[3-(dimethylamino)propoxy]thioxanthen-9-one;hydrochloride
Names & synonyms
31696-73-8Thioxanthen-9-one, 2-(3-(dimethylamino)propoxy)-, hydrochloride, hydrate2-(3-Dimethylaminopropoxy)thioxanthone hydrochloride monohydrateDTXSID00185588RefChem:385539DTXCID401080792-[3-(Dimethylamino)propoxy]-9H-thioxanthen-9-one--hydrogen chloride (1/1)
Database identifiers
- CAS
31696-73-8- PubChem CID
- 208151
- DTXSID
DTXSID00185588
Properties
Computed structural properties
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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