4-[(4-Methylphenyl)Sulfanyl]Aniline
[CAS# 22865-52-7]

Identification

• Name: 4-[(4-Methylphenyl)Sulfanyl]Aniline
• Synonyms: 4-[(4-Methylphenyl)Thio]Aniline; [4-[(4-Methylphenyl)Thio]Phenyl]Amine; Oprea1_422653
• Molecular Formula: C₁₃H₁₃NS
• Molecular Weight: 215.31
• CAS Registry Number: 22865-52-7
• SMILES: C1=CC(=CC=C1SC2=CC=C(C=C2)N)C
• InChI: 1S/C13H13NS/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h2-9H,14H2,1H3
• InChIKey: AJSXOVAGVRPACZ-UHFFFAOYSA-N

Properties

• Density: 1.171g/cm³ (Cal.)
• Boiling point: 395.798°C at 760 mmHg (Cal.)
• Flash point: 193.172°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370