2-[2-(6-Chloropurin-9-yl)-1-fluoroethyl]sulfonyl-1,3-benzothiazole

• Catalog: OFC1449219377
• CAS: 1449219-37-7
• Category: Other Fluorinated Group Introducing Agents
• Synonyms: 9H-Purine, 9-[2-(2-benzothiazolylsulfonyl)-2-fluoroethyl]-6-chloro- (ACI); 9-[2-(2-Benzothiazolylsulfonyl)-2-fluoroethyl]-6-chloro-9H-purine (ACI)

• InChI: InChI=1S/C14H9ClFN5O2S2/c15-12-11-13(18-6-17-12)21(7-19-11)5-10(16)25(22,23)14-20-8-3-1-2-4-9(8)24-14/h1-4,6-7,10H,5H2
• InChI Key: LHZPXIRPOMWRSR-UHFFFAOYSA-N
• Canonical SMILES: O=S(=O)(c1nc2ccccc2s1)C(F)Cn1cnc2c(Cl)ncnc21

• Molecular Formula: C14H9ClFN5O2S2
• Molecular Weight: 397.844
• Melting Point: 207 °C
• Boiling Point: 615.7 °C
• Density: 1.8 g/cm3
• Appearance: Yellow solid

• Exact Mass: 396.987