Sulfametomidine
[CAS# 3772-76-7]

Identification

• Name: Sulfametomidine
• Synonyms: 4-Amino-N-(6-Methoxy-2-Methyl-Pyrimidin-4-Yl)Benzenesulfonamide; 4-Amino-N-(6-Methoxy-2-Methyl-4-Pyrimidinyl)Benzenesulfonamide; 4-Amino-N-[2-Methyl-6-(Methyloxy)Pyrimidin-4-Yl]Benzenesulfonamide
• Molecular Formula: C₁₂H₁₄N₄O₃S
• Molecular Weight: 294.33
• CAS Registry Number: 3772-76-7
• EINECS: 223-219-5
• SMILES: C1=C(N=C(N=C1N[S](C2=CC=C(N)C=C2)(=O)=O)C)OC
• InChI: 1S/C12H14N4O3S/c1-8-14-11(7-12(15-8)19-2)16-20(17,18)10-5-3-9(13)4-6-10/h3-7H,13H2,1-2H3,(H,14,15,16)
• InChIKey: QKLSCPPJEVXONT-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 501.6±60.0°C at 760 mmHg (Cal.)
• Flash point: 257.2±32.9°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493