[4,5-Dimethyl-2-(Sulfanylmethyl)Phenyl]Methanethiol
[CAS# 10230-61-2]

Identification

• Classification: Chemical reagent >> Organic reagent >> Thiol salt
• Name: [4,5-Dimethyl-2-(Sulfanylmethyl)Phenyl]Methanethiol
• Synonyms: [2-(Mercaptomethyl)-4,5-Dimethylphenyl]Methanethiol; [2-(Mercaptomethyl)-4,5-Dimethyl-Phenyl]Methanethiol; St5308591
• Molecular Formula: C₁₀H₁₄S₂
• Molecular Weight: 198.34
• CAS Registry Number: 10230-61-2
• EINECS: 233-551-2
• SMILES: C1=C(C)C(=CC(=C1CS)CS)C
• InChI: 1S/C10H14S2/c1-7-3-9(5-11)10(6-12)4-8(7)2/h3-4,11-12H,5-6H2,1-2H3
• InChIKey: NNGQXIUDFKIVKI-UHFFFAOYSA-N

Properties

• Density: 1.086g/cm³ (Cal.)
• Melting point: 69°C (Expl.)
• Boiling point: 318.477°C at 760 mmHg (Cal.)
• Flash point: 131.122°C (Cal.)

References

• (1): Arnoldi Anna, Bassoli Angela, Merlini Lucio, Ragg Enzio. Isovanillyl sweeteners. Synthesis and sweet taste of sulfur heterocycles, Journal of the Chemical Society, Perkin Transactions 1, 1993