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Thiothixene

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Identification
Molecular formula
C23H29N3S2
CAS number
29796-79-2
IUPAC name
1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine
State
State

Thiothixene is a solid at room temperature. In a standard storage environment, it remains stable and inert, although caution should be exercised to protect it from direct light to prevent any potential degradation.

Melting point (Celsius)
111.00
Melting point (Kelvin)
384.15
Boiling point (Celsius)
351.30
Boiling point (Kelvin)
624.45
General information
Molecular weight
444.64g/mol
Molar mass
444.5850g/mol
Density
1.2400g/cm3
Appearence

Thiothixene typically appears as a yellow crystalline solid or powder. It may exhibit a slight odor and can be sensitive to light, leading to potential degradation or color change upon prolonged exposure to light sources.

Comment on solubility

Solubility of 1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine

The solubility of 1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine can be best understood by considering several important factors:

  • Polarity: The compound exhibits unique structural features, which may influence its polarity. Polarity plays a key role in solubility, impacting how well the compound dissolves in polar versus non-polar solvents.
  • Intermolecular forces: The presence of functional groups and the three-dimensional structure can result in various kinds of intermolecular forces (e.g., hydrogen bonding, Van der Waals forces) that affect its solubility profile.
  • Solvent selection: Depending on its structural characteristics, the compound may be more soluble in organic solvents like alcohols and ethers, or less soluble in water. A thorough analysis of solvent interactions is essential.
  • Temperature: Solubility is temperature-dependent. Generally, increased temperatures can enhance solubility, but this varies with the nature of the compound and solvent.

To effectively predict the solubility of this compound, one might refer to its chemical structure and empirical evidence gathered from experimental studies. As with many complex molecules, solubility can vary widely, and understanding the nuances of its chemical behavior is key to unlocking its potential applications.

Interesting facts

Introduction to 1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine

This intriguing compound stands out due to its complex structure comprising unique bicyclic and tricyclic elements. The fusion of a piperidine ring with a thiatricyclo framework presents fascinating opportunities in the field of medicinal chemistry.

Interesting Aspects of the Compound

  • Unique Structure: The presence of a thiatricyclo structure, characterized by its three interlinked rings, enables enhanced molecular interactions which can be pivotal in drug design.
  • Potential Biological Activity: Compounds that incorporate a piperidine moiety are often noted for their biological activities. This particular compound may exhibit significant pharmacological properties, warranting further investigation.
  • Complexity in Synthesis: The synthesis of compounds like this often requires innovative synthetic strategies, highlighting the chemist's ability to manipulate chemical reagents and conditions to obtain desired structural frameworks.
  • Applications in Therapeutics: Given its complex nature, this compound could be explored for applications in treating a range of disorders, tapping into its potential as a lead compound in drug development.
  • Interdisciplinary Fascination: This compound not only intrigues chemists but also attracts interest from biologists and pharmacologists keen to study its effects and interactions within biological systems.

In summary, 1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine represents a remarkable fusion of structure and potential. As we delve further into its properties and synthetic pathways, this compound may pave the way for novel therapeutic advancements.

Synonyms
Pizotifen
15574-96-6
PIZOTYLINE
Pizotifene
Pizotifeno
Pizotifenum
BC 105
4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)-1-methylpiperidine
4-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methylpiperidine
Piperidine, 4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methyl-
DTXSID6023490
CHEBI:50212
0BY8440V3N
Piperidine, 4-(9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-1-methyl-
DTXCID803490
4-(9,10-Dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-1-methylpiperidine
4-(9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen-4-ylidene)-1-methylpiperidine
4-[9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene]-1-methylpiperidine
BC105
1-methyl-4-(6-thiatricyclo(8.4.0.0^(3,7))tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine
1-methyl-4-{6-thiatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene}piperidine
N02CX01
239-632-9
Sandomigran
Litec
Sandomygran
BC-105
Pizotyline [USAN]
MFCD00864192
Pizotifan
Pizotifen [INN]
Pizotifen (INN)
Pizotyline (USAN)
1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine
NCGC00163169-01
Sandomigran (TN)
1-methyl-4-{6-thiatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3(7),4,11,13-pentaen-2-ylidene}piperidine
Pizotifene [INN-French]
Pizotifenum [INN-Latin]
Pizotifeno [INN-Spanish]
CAS-15574-96-6
C19H21NS
EINECS 239-632-9
BRN 0753534
Pizotylline
Sandomigram
Sanmigran
UNII-0BY8440V3N
Pizotifen?
Pizotifen (Standard)
PIZOTYLINE [MI]
Biomol-NT_000102
GTPL93
PIZOTIFEN [MART.]
PIZOTIFEN [WHO-DD]
Oprea1_684518
SCHEMBL44122
MLS006011927
Pizotifen - Bio-X trade mark
Pizotyline maleate (Salt/Mix)
BPBio1_001391
CHEMBL294951
orb1308598
Pizotifen, >=98% (HPLC)
SCHEMBL29366884
BDBM82088
HY-B0115R
HMS5087C05
BCP14794
HY-B0115
MSK11339
Tox21_112024
BBL009911
NSC_27400
PDSP1_001602
PDSP2_001586
s5770
STK801341
AKOS005612964
Tox21_112024_1
CS-1870
DB06153
FP27096
SB43212
NCGC00163169-02
NCGC00163169-03
NCGC00163169-05
AC-11996
AS-13328
BP164276
Pizotyline; 4-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methylpiperidine
SMR004703517
SY053157
SBI-0206788.P001
CAS_15574-96-6
DB-043288
AB00514749
NS00007697
P2344
D05523
T71852
AB00514749_11
AB00514749_12
EN300-7361887
L000722
Q413784
BRD-K75958195-001-01-7
BRD-K75958195-037-03-7
BRD-K75958195-037-04-5
BRD-K75958195-037-08-6
BRD-K75958195-037-09-4
4-(9,10-dihydro-1-thiabenzo[f]azulen-4-ylidene)-1-methylpiperidine
4-(9,10-Dihydro-4H-benzo4,5cyclohepta1,2-bthien-4-ylidene)-1-methylpiperidine;Pizotyline
1-methyl-4-(6-thiatricyclo[8.4.0.0^{3,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine
1-methyl-4-{6-thiatricyclo[8.4.0.0,3,7]tetradeca-1(10),3(7),4,11,13-pentaen-2-ylidene}piperidine
1-methyl-4-{6-thiatricyclo[8.4.0.0?,?]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene}piperidine
4-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methylpiperidine;Pizotyline
4-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)-1-methylpiperidine (C4H6O5)