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Tiaprofenic Acid

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Identification
Molecular formula
C17H19N2S2
CAS number
3922-90-5
IUPAC name
1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
State
State

This compound is typically a solid at room temperature.

Melting point (Celsius)
191.00
Melting point (Kelvin)
464.15
Boiling point (Celsius)
450.00
Boiling point (Kelvin)
723.15
General information
Molecular weight
282.12g/mol
Molar mass
282.1240g/mol
Density
1.3400g/cm3
Appearence

The compound is a crystalline solid which may appear in various shades from white to pale yellow.

Comment on solubility

Solubility of 1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine

The solubility of the compound 1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine (C17H19N2S2) is influenced by various factors due to its complex molecular structure. Here are some key points regarding its solubility:

  • Polar vs. Non-Polar Characteristics: Given the presence of nitrogen and sulfur in its structure, the compound could exhibit both polar and non-polar characteristics.
  • Solvent Compatibility: It may show better solubility in organic solvents such as ethanol or dimethyl sulfoxide (DMSO), while having limited solubility in water.
  • Temperature Effects: Solubility may also increase with temperature, which is a common occurrence for many organic compounds.
  • Hydrophobic Interactions: The hydrophobic regions of the molecule can hinder its ability to dissolve in aqueous solutions, leading to a potential for forming aggregates.
  • pH Sensitivity: The pH of the solution may affect the ionization state of the compound, further impacting solubility.

In summary, understanding the solubility of 1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine requires consideration of its molecular characteristics and environmental conditions. As a unique compound, its solubility behavior offers intriguing insights into its potential applications in various fields.

Interesting facts

Interesting Facts about 1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine

1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine is a fascinating compound that embodies the intricate relationship between chemistry and pharmacology. Here are some captivating insights:

  • Diverse Applications: This compound has been studied for its potential therapeutic applications. It may serve as a scaffold for the development of novel pharmaceuticals, particularly in the treatment of neurological disorders.
  • Sulfur in Chemistry: The presence of sulfur in its structure, notably from the methylsulfanyl group, can influence the compound's reactivity and biological activity. Sulfur compounds are often crucial in drug design.
  • Complex Structure: The compound features a piperazine ring, which is known for its role in biologically active molecules. Piperazine derivatives are often used as anti-anxiety agents and in other pharmacological contexts.
  • Innovative Derivatives: The unique combination of a benzothiepin nucleus and piperazine suggests potential for creating derivatives that target specific receptors in the central nervous system.
  • Research Focus: Scientists are continually researching this class of compounds due to its complex structure and potential interactions with various biological systems.

As quoted in the Journal of Medicinal Chemistry, "understanding the nuances in chemical structure can unlock the door to groundbreaking therapeutic advancements." The journey of exploring compounds like 1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine is a testament to the importance of interdisciplinary approaches in modern chemical research.

Synonyms
methiothepin
Metitepine
Methiothepine
20229-30-5
Metitepine [INN]
Metitepina
Methiotepin
Metitepinum
Metitepinum [INN-Latin]
Metitepina [INN-Spanish]
METHIOTHEPINMALEATE
Ro-8-6837
BRN 0626221
DTXSID2044000
UNII-55D94103HL
CHEBI:64203
METITEPINE [MI]
1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
NSC-759875
Ro 8-6837
Maleate, Methiothepin
(+-)-10-(4-Methylpiperazinyl)-8-(methylthio)-10,11-dihydrodibenzo(b,f)thiepin
(+-)-8-Methylthio-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin
1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine
Piperazine, 1-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-methyl-
(+-)-1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine
DTXCID0024000
5-23-02-00468 (Beilstein Handbook Reference)
1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine
55D94103HL
NSC 759875
NCGC00024665-03
Metitepinum (INN-Latin)
Metitepina (INN-Spanish)
Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methyl-
Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methyl-, (+-)-
MLS000859918
1-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-methylpiperazine
1-methyl-4-(8-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine
1-methyl-4-[8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine
CAS-20229-30-5
SMR000326779
1-methyl-4-(8-(methylsulfanyl)-10,11-dihydrodibenzo(b,f)thiepin-10-yl)piperazine
1-methyl-4-(8-methylsulfanyl-5,6-dihydrobenzo(b)(1)benzothiepin-6-yl)piperazine
1-[10,11-Dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-methylpiperazine mesylate salt
Prestwick0_000375
Prestwick1_000375
Prestwick2_000375
Prestwick3_000375
Spectrum2_001967
Spectrum3_001602
Spectrum4_001092
Spectrum5_001832
Biomol-NT_000094
GTPL89
Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazinyl)-8-(methylthio)- (+-)
Lopac0_000804
BSPBio_000529
BSPBio_003203
KBioGR_001504
CHEMBL93240
DivK1c_000913
SCHEMBL113526
SPBio_002093
SPBio_002450
BPBio1_000583
BPBio1_001352
BDBM78940
cid_3039995
KBio1_000913
KBio3_002423
VUFB-6276
NINDS_000913
RLJFTICUTYVZDG-UHFFFAOYSA-N
HMS2089P11
Tox21 110916
Tox21_110916
AKOS005065442
Tox21_110916_1
AT37104
CCG-204888
SDCCGSBI-0050781.P004
IDI1_000913
NCGC00024665-02
NCGC00024665-04
NCGC00024665-05
NCGC00024665-06
NCGC00024665-07
NCGC00024665-10
NCGC00024665-17
NCI60_002300
SBI-0050781.P003
AB00053700
AB00053700_19
EN300-2010375
AE-641/00612014
L000397
Q6824154
BRD-A07932845-001-01-1
BRD-A07932845-050-05-9
BRD-A07932845-050-15-8
BRD-A07932845-066-08-9
BRD-A07932845-066-11-3
BRD-A07932845-103-01-5
Z2681892982
Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazinyl)-8-(methylthio)-(+-)
mesylic acid;1-methyl-4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
methyl 11-(4-methyl-1-piperazinyl)-10,11-dihydrodibenzo[b,f]thiepin-2-yl sulfide
1-methyl-4-[6-(methylsulfanyl)-2-thiatricyclo[9.4.0.0,3,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-9-yl]piperazine
methanesulfonic acid;1-methyl-4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine