3-(2-{[2-(2-Thioxo-1,3-Benzothiazol-3(2H)-Yl)Ethyl]Sulfanyl}Ethyl)-1,3-Benzothiazol-2(3H)-One
[CAS# 30979-04-5]

Identification

• Name: 3-(2-{[2-(2-Thioxo-1,3-Benzothiazol-3(2H)-Yl)Ethyl]Sulfanyl}Ethyl)-1,3-Benzothiazol-2(3H)-One
• Synonyms: 3-(2-{[2-(2-THIOXO-1,3-BENZOTHIAZOL-3(2H)-YL)ETHYL]SULFANYL}ETHYL)-1,3-BENZOTHIAZOL-2(3H)-ONE; NSC140035
• Molecular Formula: C₁₈H₁₆N₂OS₄
• Molecular Weight: 404.59
• CAS Registry Number: 30979-04-5
• SMILES: O=C2Sc1ccccc1N2CCSCCN3c4ccccc4SC3=S
• InChI: 1S/C18H16N2OS4/c21-17-19(13-5-1-3-7-15(13)24-17)9-11-23-12-10-20-14-6-2-4-8-16(14)25-18(20)22/h1-8H,9-12H2
• InChIKey: GHTAQMSLLDZQKF-UHFFFAOYSA-N

Properties

• Density: 1.518g/cm³ (Cal.)
• Boiling point: 619.091°C at 760 mmHg (Cal.)
• Flash point: 328.215°C (Cal.)