tricyclohexyl[(tricyclohexylstannyl)sulfanyl]stannane

• ChemBase ID: 138718
• Molecular Formular: C36H66SSn2
• Molecular Mass: 768.37624
• Monoisotopic Mass: 770.29291111
• SMILES: C1CCC(CC1)[Sn](C1CCCCC1)(C1CCCCC1)S[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)[Sn](C1CCCCC1)(C1CCCCC1)S[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/6C6H11.S.2Sn/c6*1-2-4-6-5-3-1;;;/h6*1H,2-6H2
• InChIKey: NBTHYJWPOYZDHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricyclohexyl[(tricyclohexylstannyl)sulfanyl]stannane
• IUPAC Traditional name: tricyclohexyl[(tricyclohexylstannyl)sulfanyl]stannane
• Synonyms: Bis(tricyclohexyltin(IV)) sulfide; 双(三环己基锡(IV))硫化物

Database IDs

• CAS Number: 13121-76-1
• MDL Number: MFCD00012055
• PubChem SID: 24856297; 162232969
• PubChem CID: 16685241

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 15.4593
• LogD (pH = 7.4): 15.4593
• Log P: 15.4593
• Molar Refractivity: 166.188 cm^3
• Polarizability: 76.32969 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 130-132 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 3146
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3146 6.1/PG 3

Product Information

• Linear Formula: [(C6H11)3Sn]2S