2-{[4-(1,3-Thiazol-2-ylsulfamoyl)phenyl]carbamoyl}benzoic acid

Basic Information

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CAS Number

85-73-4

Molecular Formula

C17H13N3O5S2

Molecular Weight

403.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

240 °C (dec.)

Boiling Point

579°C at 760 mmHg

Density

1.4235 (rough estimate)

Flash Point

304°C

Refractive Index

1.6390 (estimate)

SMILES

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OC(=O)c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccs3

InChI

InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)

InChIKey

PBMSWVPMRUJMPE-UHFFFAOYSA-N

LogP

2.894400000000001

Topological Polar Surface Area

125.46 Å²

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

643

Safety Information

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GHS Hazard Pictograms

H412

Hazard Statement

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Toxicity

LD50 i.p. in mice: 920 mg/kg (Mattis)

Synonyms & References

English

Phthalylsulphathiazole
PST
4-(2-Thiazolylsulfamyl)phthalanilic acid
2-[[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]carbonyl]benzoic acid
Phthalylsulfathiazole
N4-Phthalylsulfathiazole
Phthalylsulfathiazole(PST)
2-[({4-[(2-thiazolylamino)sulfonyl]phenyl}amino)carbonyl]-benzoic acid
Cremothalidine
entexidin
Ftalazol
Ftalysept
N-(4-thiazol-2-ylsulfamoyl-phenyl)-phthalamic acid
N-(4-Thiazol-2-ylsulfamoyl-phenyl)-phthalamidsaeure
Phtalazol
Sulftalyl
Taleudron
Talidine
Taloudron
Thalinil
4'-(2-Thiazolylsulfamoyl)phthalanilic Acid
Sulfathalidine
Phthalazol
Phthalylsulfonazole
Sulphaphthalyl
Phthalazole
Sulfaphthalazole
Phthalylnorsulfazole
Enteramida
Entexidina
Thalistatyl

MDL Number

MFCD00005318

Customs Code

2935009090

FAQ

What is 2-{[4-(1,3-Thiazol-2-ylsulfamoyl)phenyl]carbamoyl}benzoic acid (CAS: 85-73-4)?

2-{[4-(1,3-Thiazol-2-ylsulfamoyl)phenyl]carbamoyl}benzoic acid (CAS: 85-73-4) is a chemical compound characterized by a benzene ring substituted with a carboxylic acid group and a carbamoyl group attached to a phenyl ring. The phenyl ring is further modified with a sulfamoyl group linked to a 1,3-thiazole ring. It is known for its complex structure and potential applications in various scientific fields.

What are the main uses of 2-{[4-(1,3-Thiazol-2-ylsulfamoyl)phenyl]carbamoyl}benzoic acid (CAS: 85-73-4)?

This compound is primarily used in pharmaceutical research for the development of drugs targeting inflammatory and autoimmune diseases. It also finds applications in organic synthesis as a building block for more complex molecules. Additionally, it is studied in chemical research for its potential biological activities and interactions.

Is 2-{[4-(1,3-Thiazol-2-ylsulfamoyl)phenyl]carbamoyl}benzoic acid (CAS: 85-73-4) safe?

The safety of 2-{[4-(1,3-Thiazol-2-ylsulfamoyl)phenyl]carbamoyl}benzoic acid (CAS: 85-73-4) depends on its application and exposure conditions. It is generally considered safe in controlled laboratory settings, but proper handling is required. Protective measures such as gloves and ventilation should be used to minimize risks during experimentation or industrial use.

How should 2-{[4-(1,3-Thiazol-2-ylsulfamoyl)phenyl]carbamoyl}benzoic acid (CAS: 85-73-4) be stored?

This compound should be stored in a cool, dry place away from direct light. It is best kept in a sealed container at a temperature below 25°C and in low humidity conditions to maintain stability. Proper storage helps prevent degradation and ensures long-term usability in research or industrial applications.