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Chlorothiazide

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Identification
Molecular formula
C7H6ClN3O3S2
CAS number
58-94-6
IUPAC name
3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
State
State

At room temperature, chlorothiazide is typically in the solid state, specifically as a crystalline powder.

Melting point (Celsius)
355.00
Melting point (Kelvin)
628.15
Boiling point (Celsius)
260.00
Boiling point (Kelvin)
533.15
General information
Molecular weight
295.72g/mol
Molar mass
295.7230g/mol
Density
1.3000g/cm3
Appearence

Chlorothiazide appears as a white or slightly yellowish crystalline powder. It is odorless or has a faint odor.

Comment on solubility

Solubility of 3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

The solubility of 3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide (C7H6ClN3O3S2) varies significantly depending on the solvent. Understanding its solubility characteristics is crucial for various applications, particularly in the field of pharmaceuticals.

Key points regarding its solubility include:

  • Polar solvents: This compound may exhibit improved solubility in polar solvents such as water and dimethyl sulfoxide (DMSO) due to the presence of functional groups capable of hydrogen bonding.
  • Non-polar solvents: Conversely, it may have limited solubility in non-polar solvents like hexane or toluene, attributed to its polar functional structures.
  • pH dependence: The solubility might also be influenced by the pH of the solution, as ionizable groups can alter solubility profiles in acidic or basic conditions.
  • Temperature effects: Solubility can increase with a rise in temperature for many compounds, suggesting that heating might enhance dissolution rates.

It is noted that the solubility of this compound is critical for its bioavailability, thus, understanding these factors is essential for effective formulation and delivery in therapeutic contexts. As with many compounds, solubility testing under varying conditions is recommended for precise applications. Remember, “the solution to pollution is dilution,” yet in this case, the right solvent matters significantly!

Interesting facts

Interesting Facts about 3-(Benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

This complex compound belongs to a fascinating class of chemicals known as benzothiadiazines. These compounds are renowned for their diverse biological activities, attracting attention for their potential therapeutic applications.

Key Features:

  • Biological Relevance: Benzothiadiazines have been studied for their effects on different biological systems, showing promise as antimicrobial and antiviral agents.
  • Sulfonamide Structure: The sulfonamide group in this compound enhances its ability to inhibit certain enzymes, making it a target for drug design in the field of medicinal chemistry.
  • Chloro Substitution: The presence of the chlorine atom can significantly affect the compound's reactivity and biological properties, allowing for selective action against specific biological pathways.
  • Functional Groups: The combination of sulfonamide and dioxo functionalities contributes to the compound’s unique chemical behavior and versatility.

Moreover, this compound exemplifies the intricate balance of structure and function in drug development. Researchers often explore derivatives of such compounds to enhance potency and reduce side effects. According to a study, “The incorporation of various substituents on the benzothiadiazine core can lead to a plethora of novel compounds with varying biological activity.”
Such observations demonstrate the importance of structural modifications in pharmacology.

In conclusion, the study of 3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide offers significant insights into the design of efficacious drugs. Its multifaceted structure paves the way for innovative research in the realm of medicinal compounds.

Synonyms
benzthiazide
91-33-8
Benzothiazide
Aquatag
Fovane
Exna
Dihydrex
Urese
Lemazide
Diucen
Freeuril
Edemex
Exosalt
Proaqua
Benzotiazida
Benzthiazidum
Aquapres
Aquasec
Diucene
Regulon
Urazide
Fouane
Aqua-Scrip
Hy-drine
Pro-aqua
Rid-ema
Pfizer 1393
S-Aqua
Benztiazide
Benzthiazidum [INN-Latin]
Benzotiazida [INN-Spanish]
benztiazida
HSDB 3296
3-Benzylthiomethyl-6-chloro-7-sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxide
EINECS 202-061-0
P 1393
NSC-755902
UNII-1TD8J48L61
3-((Benzylthio)methyl)-6-chloro-7-sulfamoyl-2H-benzo-1,2,4-thiadiazine 1,1-dioxide
6-Chloro-7-sulfamoyl-3-benzylthiomethyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
CHEBI:3047
DTXSID4022658
1TD8J48L61
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3-((benzylthio)methyl)-6-chloro-, 1,1-dioxide
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-(((phenylmethyl)thio)methyl)-, 1,1-dioxide
3-Benzylthiomethyl-6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-[[(phenylmethyl)thio]methyl]-, 1,1-dioxide
3-((Benzylthio)methyl)-6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
3-((Benzylthio)methyl)-6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide1,1-dioxide
6-Chloro-3-(((phenylmethyl)thio)methyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
MLS000069562
DTXCID102658
Benzthiazide [USP:INN:BAN:JAN]
3-((Benzylthio)methyl)-6-chloro-7-sulfamoyl-2H-benzo-1,2,4-thiadiazine-1,1-dioxide
NSC 755902
CAS-91-33-8
NCGC00016347-01
Benztiazide [DCIT]
SMR000058805
HyDrine
Benzthiazidum (INN-Latin)
Benzotiazida (INN-Spanish)
6-chloro-1,1-dioxo-3-(phenylmethylsulfanylmethyl)-4H-benzo[e][1,2,4]thiadiazine-7-sulfonamide
BENZTHIAZIDE (MART.)
BENZTHIAZIDE [MART.]
1794768-22-1
Benzthiazide (USP:INN:BAN:JAN)
3-[(Benzylsulfanyl)methyl]-6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
3-[(benzylthio)methyl]-6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
6-chloro-3-{[(phenylmethyl)thio]methyl}-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
Benzthazide; 3-[(benzylsulfanyl)methyl]-6-chloro-4H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
Exna (TN)
SR-05000001574
Benzthiazide (JAN/INN)
Benzthiazid
3-((benzylsulfanyl)methyl)-6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
6-chloro-1,1-dioxo-3-(phenylmethylsulfanylmethyl)-4H-benzo(e)(1,2,4)thiadiazine-7-sulfonamide
Prestwick_993
benzthiazide-anhydrate
EXVA
Spectrum_000076
Opera_ID_1644
Prestwick0_000824
Prestwick1_000824
Prestwick2_000824
Prestwick3_000824
Spectrum2_001141
Spectrum3_000315
Spectrum4_000250
Spectrum5_000882
BENZTHIAZIDE [MI]
BENZTHIAZIDE [INN]
BENZTHIAZIDE [JAN]
BENZTHIAZIDE [HSDB]
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3-((benzylthio)menthyl)-6-chloro-, 1,1-dioxide
BENZTHIAZIDE [VANDF]
SCHEMBL26257
BSPBio_000747
BSPBio_001910
KBioGR_000660
KBioSS_000476
6-CHLORO-3-
BENZTHIAZIDE [WHO-DD]
DivK1c_000491
SPECTRUM1500141
SPBio_001061
SPBio_002668
BPBio1_000823
GTPL7125
CHEMBL1201039
HMS501I13
KBio1_000491
KBio2_000476
KBio2_003044
KBio2_005612
KBio3_001410
NINDS_000491
BENZTHIAZIDE [ORANGE BOOK]
HMS1570F09
HMS1920G11
HMS2091M13
HMS2097F09
HMS2234J10
HMS3370L07
HMS3714F09
Pharmakon1600-01500141
HY-B1424
UWC76822
Tox21_110387
CCG-40326
NSC755902
AKOS015889538
Tox21_110387_1
DB00562
IDI1_000491
NCGC00016347-02
NCGC00016347-03
NCGC00016347-04
NCGC00016347-07
NCGC00094599-01
NCGC00094599-02
AS-56353
DA-61587
SBI-0051294.P003
CS-0013136
NS00002522
SW197075-3
C07759
D00651
D93059
AB00051924_04
AB00051924_05
Q2889971
SR-05000001574-1
SR-05000001574-2
BRD-K21450440-001-05-4
BRD-K21450440-001-08-8
BRD-K21450440-001-13-8
BRD-K21450440-001-14-6
Z1575268710
3-((Benzylthio)methyl)-6-chloro-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
3-[(Benzylsulfanyl)methyl]-6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide #
202-061-0
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-(((phenylmethyl)thio)methyl)-, dioxide-1,1-
3-[(benzylsulfanyl)methyl]-6-chloro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
6-chloro-3[[(phenylmethyl)thio]ethyl]4H-1,2,4-benzthothiadiazine- 7-sulfonamide-1,1-dioxide