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Atomfair 3-Bromo-5-(methylsulfanyl)-1,2,4-thiadiazole C3H3BrN2S2 CAS 36955-33-6

3-Bromo-5-(methylsulfanyl)-1,2,4-thiadiazole (CAS No. 36955-33-6) is a high-purity heterocyclic compound with the molecular formula C3H3BrN2S2. This specialized chemical features a 1,2,4-thiadiazole core substituted with a bromo group at the 3-position and a methylsulfanyl (methylthio) group at the 5-position, making it a valuable intermediate for synthetic organic chemistry and pharmaceutical research. With a molecular weight of 211.10 g/mol, it is supplied as a crystalline solid with >95% purity (HPLC) and is rigorously tested for consistency in quality. Ideal for use in nucleophilic substitution reactions, cross-coupling methodologies, and as a building block for bioactive molecule development. Proper storage at 2-8°C in a tightly…

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Description

3-Bromo-5-(methylsulfanyl)-1,2,4-thiadiazole (CAS No. 36955-33-6) is a high-purity heterocyclic compound with the molecular formula C3H3BrN2S2. This specialized chemical features a 1,2,4-thiadiazole core substituted with a bromo group at the 3-position and a methylsulfanyl (methylthio) group at the 5-position, making it a valuable intermediate for synthetic organic chemistry and pharmaceutical research. With a molecular weight of 211.10 g/mol, it is supplied as a crystalline solid with >95% purity (HPLC) and is rigorously tested for consistency in quality. Ideal for use in nucleophilic substitution reactions, cross-coupling methodologies, and as a building block for bioactive molecule development. Proper storage at 2-8°C in a tightly sealed container under inert atmosphere is recommended to ensure stability.

Properties

  • CAS Number: 36955-33-6
  • Complexity: 81.7
  • IUPAC Name: 3-bromo-5-methylsulfanyl-1,2,4-thiadiazole
  • InChI: InChI=1S/C3H3BrN2S2/c1-7-3-5-2(4)6-8-3/h1H3
  • InChI Key: SLMCXSVDKBFAAZ-UHFFFAOYSA-N
  • Exact Mass: 209.89210
  • Molecular Formula: C3H3BrN2S2
  • Molecular Weight: 211.1
  • SMILES: CSC1=NC(=NS1)Br
  • Topological: 79.3
  • Monoisotopic Mass: 209.89210
  • Synonyms: 36955-33-6, 3-bromo-5-(methylsulfanyl)-1,2,4-thiadiazole, DTXSID20375681, DTXCID70326709, 3-bromo-5-(methylthio)-1,2,4-thiadiazole, 3-Bromo-5-methylthio-1,2,4-thiadiazole, 3-bromo-5-methylsulfanyl-1,2,4-thiadiazole, MFCD02946284, SCHEMBL2588959, SLMCXSVDKBFAAZ-UHFFFAOYSA-N, AKOS015852566, DB-022364, 3-Bromo-5-methylsulfanyl-[1,2,4]thiadiazole, F94629, EN300-1726161

Application

3-Bromo-5-(methylsulfanyl)-1,2,4-thiadiazole serves as a versatile scaffold in medicinal chemistry for the synthesis of thiadiazole-derived pharmacophores, particularly in antiviral and antimicrobial agent development. Its reactive bromo group enables participation in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Stille) to construct complex heterocyclic systems. Researchers also utilize it as a precursor for agrochemicals and as a ligand modifier in coordination chemistry. The methylsulfanyl moiety offers additional functionalization opportunities via oxidation to sulfoxides or sulfones.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
  • H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (100%)
  • Acute Tox. 4 (100%)
  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2 (100%)
  • Acute Tox. 4 (100%)
  • STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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