Thioxanthene, 2-chloro-9-(3-(4-methylpiperazinyl)propylidene)-, dihydrochloride
Basic information
- CAS
1167-95-9- Standard SMILES
Cl.Clc1ccc2c(c1)/C(=C/CCCN1CCNCC1)c1ccccc1S2- InChIKey
VRHXTJPSLYPTOW-YAKHFBBESA-N- Molecular formula
- C21H24Cl2N2S
- Average molar mass
- 407.4 g/mol
- Monoisotopic mass
- 406.1037253
Names & identifiers
- Preferred name
- Thioxanthene, 2-chloro-9-(3-(4-methylpiperazinyl)propylidene)-, dihydrochloride
- IUPAC
- 1-[(4E)-4-(2-chlorothioxanthen-9-ylidene)butyl]piperazine;hydrochloride
Names & synonyms
Thioxanthene, 2-chloro-9-(3-(4-methylpiperazinyl)propylidene)-, dihydrochloride1167-95-9RefChem:1100064N 7451-Methyl-4-(3-(2-chlorothioxanth-9-ylidene)propyl)piperazine dihydrochloridePiperazine, 1-methyl-4-(3-(2-chlorothioxanth-9-ylidene)propyl)-, dihydrochloride
Database identifiers
- CAS
1167-95-9- PubChem CID
- 6436892
Properties
Computed structural properties
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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