7-Chloro-4-Methyl-2H-1,2,4-Benzothiadiazin-3(4H)-One-1,1-Dioxide
[CAS# 5790-71-6]

Identification

• Name: 7-Chloro-4-Methyl-2H-1,2,4-Benzothiadiazin-3(4H)-One-1,1-Dioxide
• Synonyms: Methyl (5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Carboxylate; (5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofurancarboxylic Acid Methyl Ester; (5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Carboxylic Acid Methyl Ester
• Molecular Formula: C₁₁H₁₃N₅O₅
• Molecular Weight: 295.25
• CAS Registry Number: 5790-71-6
• SMILES: [C@H]1(OC(C(O)C1O)C(OC)=O)[N]3C2=NC=NC(=C2N=C3)N
• InChI: 1S/C11H13N5O5/c1-20-11(19)7-5(17)6(18)10(21-7)16-3-15-4-8(12)13-2-14-9(4)16/h2-3,5-7,10,17-18H,1H3,(H2,12,13,14)/t5?,6?,7?,10-/m1/s1
• InChIKey: BSIFNWLUZWFSOL-WNFCRHOISA-N

Properties

• Density: 1.97g/cm³ (Cal.)
• Boiling point: 623.293°C at 760 mmHg (Cal.)
• Flash point: 330.756°C (Cal.)