2,2,6,6-tetramethyl-4λ4-thia-3,5-diaza-2,6-disilahepta-3,4-diene

• ChemBase ID: 150620
• Molecular Formular: C6H18N2SSi2
• Molecular Mass: 206.45652
• Monoisotopic Mass: 206.07292265
• SMILES: C[Si](C)(C)N=S=N[Si](C)(C)C
• Canonical SMILES: C[Si](N=S=N[Si](C)(C)C)(C)C
• InChI: InChI=1S/C6H18N2SSi2/c1-10(2,3)7-9-8-11(4,5)6/h1-6H3
• InChIKey: JPAGRRHKURYWAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6,6-tetramethyl-4λ^4-thia-3,5-diaza-2,6-disilahepta-3,4-diene
• IUPAC Traditional name: 2,2,6,6-tetramethyl-4λ^4-thia-3,5-diaza-2,6-disilahepta-3,4-diene
• Synonyms: N,N′-Bis(trimethylsilyl)sulfur diimide; N,N′-双(三甲基硅基)硫二酰亚胺

Database IDs

• CAS Number: 18156-25-7
• MDL Number: MFCD00191836
• Beilstein Number: 1210296
• PubChem SID: 162244781; 24864237
• PubChem CID: 336932

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.499771
• LogD (pH = 7.4): 4.515101
• Log P: 4.5153
• Molar Refractivity: 49.8648 cm^3
• Polarizability: 22.427881 Å^3
• Polar Surface Area: 24.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 59-61 °C/12 mmHg(lit.)
• Flash Point: 113 °F; 45 °C
• Density: 0.877 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.454(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥90% (GC); 95%
• Grade: technical
• Linear Formula: [(CH3)3SiN=]2S

DETAILS

Sigma Aldrich - 388521

Packaging
5 g in glass bottle

Sigma Aldrich - 15271

Other Notes
Reagent for the synthesis of azathialkenes1