5-[(4-Chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid

Basic Information

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CAS Number

338760-78-4

Molecular Formula

C9H5ClN2O2S2

Molecular Weight

272.74 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

189-190°C

SMILES

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C1=CC(=CC=C1SC2=C(N=NS2)C(=O)O)Cl

InChI

InChI=1S/C9H5ClN2O2S2/c10-5-1-3-6(4-2-5)15-9-7(8(13)14)11-12-16-9/h1-4H,(H,13,14)

InChIKey

NDYKFFAREALEPX-UHFFFAOYSA-N

LogP

3.0409000000000006

Topological Polar Surface Area

63.08 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

262

Safety Information

View Safety Information

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-[(4-Chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid
5G-408S
AG-A-82074
CTK6H0990
MolPort-002-345-111
SureCN7551197
5-((4-Chlorophenyl)thio)-1,2,3-thiadiazole-4-carboxylic acid
C7C
C9H5ClN2O2S2
0750AE
4-carboxy-5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole
1,2,3-THIADIAZOLE-4-CARBOXYLIC ACID, 5-[(4-CHLOROPHENYL)THIO]-
AKOS005070554
J-516043
DB-336917
MFCD00794805
5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid
DTXSID50377259
SCHEMBL7551197
BDBM50463047
CHEMBL1794748
5-[(4-Chlorophenyl)thio]-1,2,3-thiadiazole-4-carboxylic Acid
5-(4-chlorophenyl)sulfanylthiadiazole-4-carboxylic Acid
CS-0332784
338760-78-4

MDL Number

MFCD00794805

FAQ

What are the physical and chemical properties of 5-[(4-Chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid (CAS: 338760-78-4)?

5-[(4-Chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid is a solid with a crystalline form. It has a molecular weight of approximately 301.07 g/mol. The compound has low water solubility and is soluble in organic solvents like DMSO. It exhibits moderate reactivity, particularly towards nucleophiles. This compound is often used in organic synthesis and as a building block in pharmaceuticals and materials science.

How is 5-[(4-Chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid (CAS: 338760-78-4) typically synthesized?

5-[(4-Chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid is typically synthesized via sulfenylation of 1,2,3-thiadiazole-4-carboxylic acid with 4-chlorophenylthiol. This reaction is usually performed in the presence of a catalytic amount of base such as potassium carbonate or sodium hydride. The yield is generally around 80%, and the product can be isolated by recrystallization from suitable solvents.

What industries use 5-[(4-Chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid (CAS: 338760-78-4)?

5-[(4-Chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid finds applications in various industries. It is used in pharmaceuticals for the synthesis of drug intermediates, in materials science as a building block for polymers, and in sensors and semiconductors for its unique electronic properties. Its use in these industries highlights its versatility and importance in modern chemical research.

What precautions should be taken when handling 5-[(4-Chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid (CAS: 338760-78-4)?

When handling 5-[(4-Chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. This compound should be used in a well-ventilated area or a fume hood due to its potential for generating toxic fumes. In case of spillage, it should be cleaned up using appropriate methods and materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

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Compound Q&A

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Compound Q&A

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5-[(4-Chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid | CAS No. 338760-78-4

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Melting Point

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Class

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of 5-[(4-Chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid (CAS: 338760-78-4)?

How is 5-[(4-Chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid (CAS: 338760-78-4) typically synthesized?

What industries use 5-[(4-Chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid (CAS: 338760-78-4)?

What precautions should be taken when handling 5-[(4-Chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid (CAS: 338760-78-4)?

Related Compounds

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Supplier Information

Xi'an Borui Biological Technology Co., Ltd.

Shanghai Hansi Chemical Co., Ltd.

ShangHaiMaiKeLinShengHuaKeJi Inc

HuBeiGuoYunFuRui Technology Co Ltd

Jin Jinle (Hunan) Chemical Co., Ltd.

Shanghai Yuyeh Biotechnology Co., Ltd.

Shanghai Jieshukai Biotechnology Co., Ltd.

Nanjing Shizhou Biological Co., Ltd.

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