8-[3-[(1,1-Dimethylethyl)Amino]-2-Hydroxypropoxy]-3,4-Dihydro-2H-1-Benzothiopyran-4-Ol
[CAS# 111897-93-9]

Identification

• Name: 8-[3-[(1,1-Dimethylethyl)Amino]-2-Hydroxypropoxy]-3,4-Dihydro-2H-1-Benzothiopyran-4-Ol
• Synonyms: 8-[3-(Tert-Butylamino)-2-Hydroxy-Propoxy]Thiochroman-4-Ol; 8-[3-(Tert-Butylamino)-2-Hydroxypropoxy]-4-Thiochromanol; 1-Tert-Butylamino-3-(4-Hydroxythio Chroman-8-Yloxy)-2-Propanol
• Molecular Formula: C₁₆H₂₅NO₃S
• Molecular Weight: 311.44
• CAS Registry Number: 111897-93-9
• SMILES: C1=CC=C(OCC(O)CNC(C)(C)C)C2=C1C(O)CCS2
• InChI: 1S/C16H25NO3S/c1-16(2,3)17-9-11(18)10-20-14-6-4-5-12-13(19)7-8-21-15(12)14/h4-6,11,13,17-19H,7-10H2,1-3H3
• InChIKey: RVGKVEPDZHPSBE-UHFFFAOYSA-N

Properties

• Density: 1.186g/cm³ (Cal.)
• Boiling point: 504.137°C at 760 mmHg (Cal.)
• Flash point: 258.693°C (Cal.)