Crabescein
[CAS# 102072-98-0]

Identification

• Name: Crabescein
• Synonyms: 4-(3-Hydroxy-6-Oxo-Xanthen-9-Yl)-N,N'-Bis(2-Sulfanylethyl)Benzene-1,3-Dicarboxamide; 4-(3-Hydroxy-6-Oxo-9-Xanthenyl)-N,N'-Bis(2-Mercaptoethyl)Benzene-1,3-Dicarboxamide; 4-(3-Hydroxy-6-Keto-Xanthen-9-Yl)-N,N'-Bis(2-Mercaptoethyl)Isophthalamide
• Molecular Formula: C₂₅H₂₂N₂O₅S₂
• Molecular Weight: 494.58
• CAS Registry Number: 102072-98-0
• SMILES: C1=CC(=CC3=C1C(=C2C(=CC(=O)C=C2)O3)C4=CC=C(C=C4C(=O)NCCS)C(=O)NCCS)O
• InChI: 1S/C25H22N2O5S2/c28-15-2-5-18-21(12-15)32-22-13-16(29)3-6-19(22)23(18)17-4-1-14(24(30)26-7-9-33)11-20(17)25(31)27-8-10-34/h1-6,11-13,28,33-34H,7-10H2,(H,26,30)(H,27,31)
• InChIKey: RZINWHUVTCOTLY-UHFFFAOYSA-N

Properties

• Density: 1.457g/cm³ (Cal.)
• Boiling point: 817.849°C at 760 mmHg (Cal.)
• Flash point: 448.419°C (Cal.)