2-Mercaptothiazoline

• CAS: 96-53-7
• Catalog Number: ACM96537-1
• Category: Other Products
• Molecular Weight: 119.21
• Molecular Formula: C3H5NS2
• Description: wr305 is an antithyroid agent that strongly reduces thyroid hormone levels. wr305 is also used as an intermediate in the preparation of pesticides and other biologically active compounds.
• Synonyms: wr305;NSC 680
• IUPAC Name: 1,3-Thiazolidine-2-thione
• Canonical SMILES: C1CSC(=S)N1
• InChI: InChI=1S/C3H5NS2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)
• InChI Key: WGJCBBASTRWVJL-UHFFFAOYSA-N
• Boiling Point: 176-178 °C
• Melting Point: 105-107ºC
• Flash Point: 68.1ºC
• Density: 1.38 g/cm³
• Solubility: Soluble in hot water
• Appearance: Fine crystalline powder
• Storage: Store below +30 °C
• Exact Mass: 118.98634151
• Hazard Codes: Xn
• HS Code: 2942000000
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• LogP: 0.93650
• MDL Number: MFCD00126013
• Monoisotopic Mass: 118.98634151
• PSA: 69.42
• RIDADR: UN 2811 6.1/PG 3
• Rotatable Bond Count: 0
• Stability: Stable under normal temperatures and pressures.
• Storage Conditions: Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Hormones and antibiotics room.
• Topological Polar Surface Area: 69.4 Ų
• WGK Germany: 3

Synthetic Use

Downstream Synthesis Route 1

• 67-56-1
• 96-53-7

• 19975-56-5

Reference: [1] Heterocycles, 2010, vol. 81, # 2, p. 413 - 420

Downstream Synthesis Route 2

• 96-53-7
• 74-88-4

• 19975-56-5

Reference: [1] Journal of Heterocyclic Chemistry, 2014, vol. 51, # SUPPL. 1, p. E216-E221
[2] Journal of Heterocyclic Chemistry, 1973, vol. 10, # 5, p. 791 - 794
[3] Journal of Heterocyclic Chemistry, 1976, vol. 13, # 5, p. 977 - 979

Downstream Synthesis Route 3

• 96-53-7

• 156-57-0

Reference: [1] Asian Journal of Chemistry, 2010, vol. 22, # 4, p. 3221 - 3227

Downstream Synthesis Route 4

• 96-53-7
• 106-96-7

• 1750-41-0

Reference: [1]Brown,E. et al.
[Tetrahedron Letters, 1977, p. 2575 - 2578]

Downstream Synthesis Route 5

• 96-53-7
• 74-88-4

• 19975-56-5

Reference: [1]European Journal of Medicinal Chemistry,2019,vol. 165,p. 309 - 322
[2]Journal of Chemical Research,2016,vol. 40,p. 674 - 677
[3]Tetrahedron Letters,1972,p. 2117 - 2120
[4]Molecules,2016,vol. 21
[5]European Journal of Medicinal Chemistry,2018,vol. 157,p. 1249 - 1263

Downstream Synthesis Route 6

• 72707-66-5
• 96-53-7

• 90982-69-7

Reference: [1]Journal of Heterocyclic Chemistry,2014,vol. 51,p. E216-E221
[2]Journal of Heterocyclic Chemistry,1973,vol. 10,p. 791 - 794
[3]Journal of Heterocyclic Chemistry,1976,vol. 13,p. 977 - 979

* For details of the synthesis route, please refer to the original source to ensure accuracy.