5-Isothiocyanatoalrestatin
[CAS# 103904-10-5]

Identification

• Name: 5-Isothiocyanatoalrestatin
• Molecular Formula: C₁₅H₈N₂O₄S
• Molecular Weight: 312.30
• CAS Registry Number: 103904-10-5
• SMILES: S=C=NC1=CC3=C2C(=C1)C=CC=C2C(N(C3=O)CC(O)=O)=O
• InChI: 1S/C15H8N2O4S/c18-12(19)6-17-14(20)10-3-1-2-8-4-9(16-7-22)5-11(13(8)10)15(17)21/h1-5H,6H2,(H,18,19)
• InChIKey: VBBIZCNBONOCLL-UHFFFAOYSA-N

Properties

• Density: 1.547g/cm³ (Cal.)
• Boiling point: 622.309°C at 760 mmHg (Cal.)
• Flash point: 330.161°C (Cal.)