N-Mesityl-7-Nitro-5-(Trifluoromethyl)-1,3-Benzothiazole-2-Carboxamide 3-Oxide
[CAS# 217317-46-9]

Identification

• Name: N-Mesityl-7-Nitro-5-(Trifluoromethyl)-1,3-Benzothiazole-2-Carboxamide 3-Oxide
• Synonyms: 2-[(mesitylamino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate; 2-BENZOTHIAZOLECARBOXAMIDE,7-NITRO-5-(TRIFLUOROMETHYL)-N-(2,4,6-TRIMETHYLPHENYL)-, 3-OXIDE; ZINC02160948
• Molecular Formula: C₁₈H₁₄F₃N₃O₄S
• Molecular Weight: 425.38
• CAS Registry Number: 217317-46-9
• SMILES: FC(F)(F)c3cc1c(sc([n+]1[O-])C(=O)Nc2c(cc(cc2C)C)C)c(c3)[N+]([O-])=O
• InChI: 1S/C18H14F3N3O4S/c1-8-4-9(2)14(10(3)5-8)22-16(25)17-23(26)12-6-11(18(19,20)21)7-13(24(27)28)15(12)29-17/h4-7H,1-3H3,(H,22,25)
• InChIKey: QMHIOPHEOHWALD-UHFFFAOYSA-N

Properties

• Density: 1.53g/cm³ (Cal.)
• Refractive index: 1.636 (Cal.)