5-(3-Methylphenyl)-1,3,4-thiadiazol-2-amine

Basic Information

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CAS Number

76074-47-0

Molecular Formula

C9H9N3S

Molecular Weight

191.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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CC1=CC(=CC=C1)C2=NN=C(S2)N

InChI

InChI=1S/C9H9N3S/c1-6-3-2-4-7(5-6)8-11-12-9(10)13-8/h2-5H,1H3,(H2,10,12)

InChIKey

LPOIZXBPFTXVAO-UHFFFAOYSA-N

LogP

2.09572

Topological Polar Surface Area

51.8 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

176

Synonyms & References

English

DTXSID70343618
AKOS000225626
76074-47-0
5-(M-TOLYL)-1,3,4-THIADIAZOL-2-AMINE
F1386-0068
CHEMBL1366084
EN300-1265203
Oprea1_499649
DS-10431
SY112334
CS-0071114
5-m-Tolyl-[1,3,4]thiadiazol-2-ylamine, AldrichCPR
AMY27060
LPOIZXBPFTXVAO-UHFFFAOYSA-N
5-m-Tolyl-[1,3,4]thiadiazol-2-ylamine
Oprea1_270861
Z57148449
5-(3-Methylphenyl)-1,3,4-thiadiazol-2-amine #
5-(3-Methylphenyl)-1,3,4-thiadiazol-2-amine
EU-0005303
CCG-106888
HMS2289E19
SMR000009629
MFCD00788171
SR-01000436275-1
5-m-tolyl-1,3,4-thiadiazol-2-amine
1,3,4-Thiadiazol-2-amine, 5-(3-methylphenyl)-
MLS000068243
BB 0253988
2-amino-5-(m-tolyl)-1,3,4-thiadiazole
BDA07447

MDL Number

MFCD00788171

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-(3-Methylphenyl)-1,3,4-thiadiazol-2-amine (CAS: 76074-47-0)?

5-(3-Methylphenyl)-1,3,4-thiadiazol-2-amine is a white to off-white powder with a molecular weight of approximately 222.23 g/mol. It is slightly soluble in water and has good solubility in organic solvents like ethanol and acetone. Chemically, it is relatively stable and has low reactivity under normal conditions, but it can react with strong oxidizing agents.

How is 5-(3-Methylphenyl)-1,3,4-thiadiazol-2-amine (CAS: 76074-47-0) typically synthesized?

5-(3-Methylphenyl)-1,3,4-thiadiazol-2-amine is usually synthesized via a reaction between 3-methylphenyl isocyanate and sodium thiocyanate, conducted in a suitable solvent such as dimethylformamide (DMF). The reaction is catalyzed by a small amount of a strong base like sodium hydroxide, and yields up to 95% of the target compound with good selectivity.

What industries use 5-(3-Methylphenyl)-1,3,4-thiadiazol-2-amine (CAS: 76074-47-0)?

5-(3-Methylphenyl)-1,3,4-thiadiazol-2-amine is primarily used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It also finds applications in the polymer industry for its potential to improve the properties of polymers, and in the sensor industry due to its reactivity with various analytes.

What precautions should be taken when handling 5-(3-Methylphenyl)-1,3,4-thiadiazol-2-amine (CAS: 76074-47-0)?

When handling 5-(3-Methylphenyl)-1,3,4-thiadiazol-2-amine, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coat. Ensure the work is performed in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials, and the area should be well ventilated. Always refer to the Safety Data Sheet (SDS) for detailed information on safe handling and disposal.