4,5-Dimethoxy-2-(methylsulfinyl)toluene
[CAS# 38452-29-8]

Identification

• Name: 4,5-Dimethoxy-2-(methylsulfinyl)toluene
• Synonyms: 1,2-Dimethoxy-4-Methyl-5-Methylsulfinyl-Benzene; Nsc321277; Rx-71107
• Molecular Formula: C₁₀H₁₄O₃S
• Molecular Weight: 214.28
• CAS Registry Number: 38452-29-8
• SMILES: C1=C(OC)C(=CC(=C1[S](C)=O)C)OC
• InChI: 1S/C10H14O3S/c1-7-5-8(12-2)9(13-3)6-10(7)14(4)11/h5-6H,1-4H3
• InChIKey: OZNTVIXYGTUPJY-UHFFFAOYSA-N

Properties

• Density: 1.206g/cm³ (Cal.)
• Boiling point: 364.014°C at 760 mmHg (Cal.)
• Flash point: 173.95°C (Cal.)

References

• (1): Zhao YH, Abraham MH, Le J, Hersey A, Luscombe CN, Beck G, Sherborne B, and Cooper I. Rate-limited Steps of Human Oral Absorption and QSAR Studies, Pharm Res., 2002, 19(10), 1446-57