3,3-Bis(Hydroxymethyl)-2,3-Dihydro-4H-Thiochromen-4-One
[CAS# 29107-30-0]

Identification

• Name: 3,3-Bis(Hydroxymethyl)-2,3-Dihydro-4H-Thiochromen-4-One
• Synonyms: 3,3-Bis(Hydroxymethyl)-4-Thiochromanone; 3,3-Dimethylolthiochroman-4-One; 5E-912
• Molecular Formula: C₁₁H₁₂O₃S
• Molecular Weight: 224.27
• CAS Registry Number: 29107-30-0
• SMILES: C1=CC=CC2=C1C(C(CS2)(CO)CO)=O
• InChI: 1S/C11H12O3S/c12-5-11(6-13)7-15-9-4-2-1-3-8(9)10(11)14/h1-4,12-13H,5-7H2
• InChIKey: QDCSRSPNQICTRP-UHFFFAOYSA-N

Properties

• Density: 1.337g/cm³ (Cal.)
• Boiling point: 428.414°C at 760 mmHg (Cal.)
• Flash point: 212.897°C (Cal.)