5-(Dimethylamino)-N-[3-(1,4,7-trithia-10-azacyclododecan-10-yl)propyl]-1-naphthalenesulfonamide
[CAS# 868365-96-2]

Identification

• Name: 5-(Dimethylamino)-N-[3-(1,4,7-trithia-10-azacyclododecan-10-yl)propyl]-1-naphthalenesulfonamide
• Synonyms: [12]aneNS3; 10-[3-(Dansylamido)propyl]-1,4,7-trithia-10-azacyclododecane; N-[3-(1,4,7-Trithia-10-aza-10-cyclododecyl)propyl]dansylamide
• Molecular Formula: C₂₃H₃₅N₃O₂S₄
• Molecular Weight: 513.80
• CAS Registry Number: 868365-96-2
• SMILES: O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCCN3CCSCCSCCSCC3
• InChI: 1S/C23H35N3O2S4/c1-25(2)22-8-3-7-21-20(22)6-4-9-23(21)32(27,28)24-10-5-11-26-12-14-29-16-18-31-19-17-30-15-13-26/h3-4,6-9,24H,5,10-19H2,1-2H3
• InChIKey: YRWREHMXXVFHIA-UHFFFAOYSA-N

Properties

• Density: 1.213g/cm³ (Cal.)
• Boiling point: 691.031°C at 760 mmHg (Cal.)
• Flash point: 371.723°C (Cal.)
• Refractive index: 1.609 (Cal.)