5-(2-Methylphenyl)-1,3,4-oxadiazole-2(3H)-thione | CAS No. 2503-66-4

5-(2-Methylphenyl)-1,3,4-oxadiazole-2(3H)-thione

Basic Information

CAS Number

2503-66-4

Molecular Formula

C9H8N2OS

Molecular Weight

192.24 g/mol

AD

Basic Physical Properties

Melting Point

181-182℃

CC1=CC=CC=C1C2=NNC(=S)O2

InChI

InChI=1S/C9H8N2OS/c1-6-4-2-3-5-7(6)8-10-11-9(13)12-8/h2-5H,1H3,(H,11,13)

InChIKey

HNFIJWNVPWXSOL-UHFFFAOYSA-N

LogP

2.33372

Topological Polar Surface Area

38.92 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

252

Synonyms & References

English

  • 5-(o-tolyl)-1,3,4-oxadiazole-2-thiol
  • 5-(o-Tolyl)-1,3,4-oxadiazole-2-thiol, 96%
  • ChemDiv2_000218
  • HMS1369J20
  • Z56347055
  • 5-(o-tolyl)-3H-1,3,4-oxadiazole-2-thione
  • F0451-7228
  • HMS2304F03
  • AKOS000678822
  • 2503-66-4
  • F76856
  • 5-(2-methylphenyl)-3H-1, 3, 4-oxadiazole-2-thione
  • 5-(2-methylphenyl)-3H-1,3,4-oxadiazole-2-thione
  • MLS000029608
  • SCHEMBL14112946
  • J-516134
  • BDBM42577
  • SMR000009336
  • 1,3,4-Oxadiazole-2(3H)-thione, 5-(2-methylphenyl)-
  • EN300-09967
  • CHEMBL1525902
  • 1,3,4-Oxadiazole-2(3H)-thione,5-(2-methylphenyl)-
  • F2146-0001
  • 5-(2-methylphenyl)-1,3,4-oxadiazole-2-thiol
  • MFCD00992514
  • AKOS000117845
  • 5-(2-Methylphenyl)-1,3,4-oxadiazol-2(3h)-thione
  • cid_774385
  • EU-0003096
  • DTXSID50354469
  • J-015785

MDL Number

MFCD00992514

FAQ

What are the physical and chemical properties of 5-(2-Methylphenyl)-1,3,4-oxadiazole-2(3H)-thione (CAS: 2503-66-4)?

5-(2-Methylphenyl)-1,3,4-oxadiazole-2(3H)-thione (CAS: 2503-66-4) is a crystalline solid with a molecular weight of approximately 214.23 g/mol. It has a moderate solubility in common organic solvents such as ethanol and acetone. The compound is known for its good thermal stability and moderate reactivity, particularly towards nucleophilic substitution reactions. It can be sensitive to moisture and air, requiring dry storage conditions.

How is 5-(2-Methylphenyl)-1,3,4-oxadiazole-2(3H)-thione (CAS: 2503-66-4) typically synthesized?

5-(2-Methylphenyl)-1,3,4-oxadiazole-2(3H)-thione is typically synthesized via the condensation of 2-methylphenyl isothiocyanate with oxalic acid dihydrazide. The reaction proceeds at room temperature with good yield and selectivity. The use of a mild base such as pyridine can enhance the reaction efficiency and product purity.

What industries use 5-(2-Methylphenyl)-1,3,4-oxadiazole-2(3H)-thione (CAS: 2503-66-4)?

5-(2-Methylphenyl)-1,3,4-oxadiazole-2(3H)-thione (CAS: 2503-66-4) finds applications in various industries, including pharmaceuticals, where it serves as a precursor for drug synthesis. It is also used in polymers for its flame-retardant properties, in sensors for its gas detection capabilities, and in semiconductors for its potential use in electronic devices. Its versatile properties make it valuable in material science and chemical research.

What precautions should be taken when handling 5-(2-Methylphenyl)-1,3,4-oxadiazole-2(3H)-thione (CAS: 2503-66-4)?

When handling 5-(2-Methylphenyl)-1,3,4-oxadiazole-2(3H)-thione (CAS: 2503-66-4), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat, to prevent direct contact and inhalation. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly ventilated. For detailed safety information, refer to the material safety data sheet (MSDS/SDS).

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