{[(1-methanesulfonyl-4,7,10,13,16-pentaoxa-1-thiaoctadecan-18-yl)sulfanyl]sulfonyl}methane

• ChemBase ID: 176322
• Molecular Formular: C14H30O9S4
• Molecular Mass: 470.6426
• Monoisotopic Mass: 470.07726654
• SMILES: S(CCOCCOCCOCCOCCOCCSS(=O)(=O)C)S(=O)(=O)C
• Canonical SMILES: CS(=O)(=O)SCCOCCOCCOCCOCCOCCSS(=O)(=O)C
• InChI: InChI=1S/C14H30O9S4/c1-26(15,16)24-13-11-22-9-7-20-5-3-19-4-6-21-8-10-23-12-14-25-27(2,17)18/h3-14H2,1-2H3
• InChIKey: HWVTVNUGXMVSOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[(1-methanesulfonyl-4,7,10,13,16-pentaoxa-1-thiaoctadecan-18-yl)sulfanyl]sulfonyl}methane
• IUPAC Traditional name: [(1-methanesulfonyl-4,7,10,13,16-pentaoxa-1-thiaoctadecan-18-yl)sulfanylsulfonyl]methane
• Synonyms: MTS-17-O5-MTS; 3,6,9,12,15-Pentaoxaheptadecane-1,17-diyl Bis-methanethiosulfonate

Database IDs

• CAS Number: 384342-61-4
• PubChem SID: 164232232
• PubChem CID: 4182497

CALCULATED PROPERTIES

• H Acceptors: 9
• H Donor: 0
• LogD (pH = 5.5): -1.0387429
• LogD (pH = 7.4): -1.0387429
• Log P: -1.0387429
• Molar Refractivity: 108.4947 cm^3
• Polarizability: 44.82864 Å^3
• Polar Surface Area: 114.43 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; DMSO; Methanol
• Apperance: Pale Yellow Oil

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Moisture Sensitive

DETAILS

Toronto Research Chemicals - P273750

A sulfhydryl cross-linking reagent.