6-fluoro-2-methylbenzothiazole

• CAS: 399-73-5
• Catalog Number: ACM399735
• Category: Other Products
• Molecular Weight: 167.203343 [g/mol]
• Molecular Formula: C8H6NFS
• Synonyms: 6-fluoro-2-methylbenzothiazole, 399-73-5, PubChem21915, SureCN2615304, AGN-PC-003PK8, CTK8I5851, 6-Fluoro-2-methylbenzo[d]thiazole, Benzothiazole, 6-fluoro-2-methyl-, ZINC34464210, AKOS006283074, 6-fluoranyl-2-methyl-1,3-benzothiazole, AK128469, KB-45411, FT-0659887, ST51055211, A824829, I14-4840, InChI=1/C8H6FNS/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H
• IUPAC Name: 6-fluoro-2-methyl-1,3-benzothiazole
• Canonical SMILES: CC1=NC2=C(S1)C=C(C=C2)F
• InChI Key: HIMUIMWWDJJAJC-UHFFFAOYSA-N
• Boiling Point: 243.013ºC at 760 mmHg
• Flash Point: 100.771ºC
• Density: 1.319g/cm³
• Exact Mass: 167.02000
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Synthetic Use

Upstream Synthesis Route 1

• 29654-01-1

• 399-73-5

Reference: [1] Angewandte Chemie, International Edition, 2009, vol. 48, # 23, p. 4222 - 4225

Upstream Synthesis Route 2

• 351-84-8

• 399-73-5

Reference: [1] Zhurnal Obshchei Khimii, 1950, vol. 20, p. 2111,2114; engl. Ausg. S. 2187, 2190
[2] Bioorganic and Medicinal Chemistry Letters, 2017, vol. 27, # 11, p. 2549 - 2558

Upstream Synthesis Route 3

• 367-25-9

• 399-73-5

Reference: [1] Journal of Medicinal Chemistry, 2005, vol. 48, # 9, p. 3141 - 3152

Upstream Synthesis Route 4

• 1009-22-9

• 399-73-5

Reference: [1]Cai, Mingzhong; Hao, Wenyan; Huang, Wencheng; Ye, Qian
[Molecular catalysis, 2022, vol. 519]