Basic information
- CAS
64695-91-6- Standard SMILES
CN(C)CC/C=C1\c2cc(Cl)ccc2Sc2cc(F)c(F)cc21.Cl- InChIKey
YFJMYAAHVKWCOI-AQCBZIOHSA-N- Molecular formula
- C18H17Cl2F2NS
- Average molar mass
- 388.3 g/mol
- Monoisotopic mass
- 387.0426824
Names & identifiers
- Preferred name
- 1-Propanamine, 3-(7-chloro-2,3-difluoro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, hydrochloride
- IUPAC
- (3Z)-3-(7-chloro-2,3-difluorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
Names & synonyms
7-Chloro-2,3-difluoro-9-(3-dimethylaminopropylidene)thioxanthene hydrochloride1-Propanamine, 3-(7-chloro-2,3-difluoro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, hydrochlorideDTXSID102150273-(7-Chloro-2,3-difluoro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-1-propanamine hydrochloride64695-91-6RefChem:234523DTXCID10137518MLS001179378CHEMBL1721501SMR000475930(3Z)-3-(7-Chloro-2,3-difluoro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
64695-91-6- PubChem CID
- 6446728
- DTXSID
DTXSID10215027- ChEMBL
CHEMBL1721501
Properties
Computed structural properties
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 445
Experimental & physicochemical properties
Solubility21.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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