3-Methylthio-1,2,4-triazine

• CAS: 28735-21-9
• Catalog Number: ACM28735219
• Category: Other Products
• Molecular Weight: 127.17g/mol
• Molecular Formula: C4H5N3S
• Synonyms: METHYL 1,2,4-TRIAZIN-3-YL SULFIDE;3-METHYLTHIO-1,2,4-TRIAZINE
• IUPAC Name: 3-methylsulfanyl-1,2,4-triazine
• Canonical SMILES: CSC1=NC=CN=N1
• InChI: InChI=1S/C4H5N3S/c1-8-4-5-2-3-6-7-4/h2-3H,1H3
• InChI Key: NFHGWQLAJYTULJ-UHFFFAOYSA-N
• Density: 1.28 g/cm³
• Complexity: 68.3
• Covalently-Bonded Unit Count: 1
• Exact Mass: 127.020418g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 8
• Monoisotopic Mass: 127.020418g/mol
• NSC Number: 276290
• Rotatable Bond Count: 1
• XLogP3: 0

Synthetic Use

Upstream Synthesis Route 1

• 131543-46-9
• 35600-34-1

• 28735-21-9

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 20, p. 6024 - 6029
[2] Tetrahedron Letters, 1986, vol. 27, # 4, p. 431 - 432
[3] Patent: US2017/152255, 2017, A1, . Location in patent: Paragraph 0294; 0295
[4] Tetrahedron Letters, 1987, vol. 28, # 4, p. 379 - 382

Upstream Synthesis Route 2

• 1314931-57-1
• 131543-46-9

• 28735-21-9

Reference: [1] Patent: US2013/40928, 2013, A1, . Location in patent: Paragraph 0226; 0227; 0228

Upstream Synthesis Route 3

• 131543-46-9

• 28735-21-9

Reference: [1] Patent: WO2015/181539, 2015, A1, . Location in patent: Page/Page column 78

Downstream Synthesis Route 1

• 123-75-1
• 28735-21-9

• 110829-36-2

Reference: [1]Chemistry of Heterocyclic Compounds,1986,vol. 22,p. 1242 - 1249
Khimiya Geterotsiklicheskikh Soedinenii,1986,vol. 22,p. 1535 - 1543

Downstream Synthesis Route 2

• 110-91-8
• 28735-21-9

• 110853-98-0

Reference: [1]Synlett,2009,p. 2137 - 2142
[2]Chemistry of Heterocyclic Compounds,1986,vol. 22,p. 1242 - 1249
Khimiya Geterotsiklicheskikh Soedinenii,1986,vol. 22,p. 1535 - 1543

Downstream Synthesis Route 3

• 941-69-5
• 28735-21-9

• 84437-47-8

Reference: [1]Chemical and pharmaceutical bulletin,1987,vol. 35,p. 4705 - 4710

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