1,4,10,13-Tetrathia-7,16-Diazacyclooctadecane
[CAS# 20934-69-4]

Identification

• Name: 1,4,10,13-Tetrathia-7,16-Diazacyclooctadecane
• Synonyms: 7,16-Diaza-1,4,10,13-tetrathiacyclooctadecane
• Molecular Formula: C₁₂H₂₆N₂S₄
• Molecular Weight: 326.61
• CAS Registry Number: 20934-69-4
• SMILES: C1CSCCSCCNCCSCCSCCN1
• InChI: 1S/C12H26N2S4/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1/h13-14H,1-12H2
• InChIKey: HDQRZGDWLMSBSD-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 128-132°C (Expl.)
• Boiling point: 512.9±45.0°C at 760 mmHg (Cal.)
• Flash point: 264.0±28.7°C (Cal.)
• Refractive index: 1.524 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin

References

• (1): Santiago Herrero and Miguel A. Usón. Stereochemical nomenclature for octahedral coordination compounds containing polydentate ligands: a comprehensive proposal, Dalton Trans., 2008, 4993.