2,2-dibutyl-1,3,2-oxathiastanninan-6-one

• ChemBase ID: 112210
• Molecular Formular: C11H22O2SSn
• Molecular Mass: 337.05718
• Monoisotopic Mass: 338.03624494
• SMILES: CCCC[Sn]1(CCCC)OC(=O)CCS1
• Canonical SMILES: CCCC[Sn]1(CCCC)SCCC(=O)O1
• InChI: InChI=1S/2C4H9.C3H6O2S.Sn/c2*1-3-4-2;4-3(5)1-2-6;/h2*1,3-4H2,2H3;6H,1-2H2,(H,4,5);/q;;;+2/p-2
• InChIKey: IRIAEMUUDSWZOX-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dibutyl-1,3,2-oxathiastanninan-6-one
• IUPAC Traditional name: 2,2-dibutyl-1,3,2-oxathiastanninan-6-one
• Synonyms: DIBUTYL TIN MERCAPTO PROPIONATE

Database IDs

• CAS Number: 78-06-8
• EC Number: 231-141-8
• PubChem SID: 162098172
• PubChem CID: 16682766

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6371
• LogD (pH = 7.4): 3.6371
• Log P: 3.6371
• Molar Refractivity: 62.8748 cm^3
• Polarizability: 29.5828 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: RP4395000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39

DETAILS

MP Biomedicals - 05222922

MP Biomedicals Rare Chemical collection