1-(methanesulfonylsulfanyl)propane

• ChemBase ID: 177053
• Molecular Formular: C4H10O2S2
• Molecular Mass: 154.251
• Monoisotopic Mass: 154.01222156
• SMILES: S(=O)(=O)(SCCC)C
• Canonical SMILES: CCCSS(=O)(=O)C
• InChI: InChI=1S/C4H10O2S2/c1-3-4-7-8(2,5)6/h3-4H2,1-2H3
• InChIKey: NTHJPLSCKRFMSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methanesulfonylsulfanyl)propane
• IUPAC Traditional name: 1-(methanesulfonylsulfanyl)propane
• Synonyms: PMTS; Methanesulfonothioic Acid S-Propyl Ester; Propyl Methanethiosulfonate

Database IDs

• CAS Number: 24387-69-7
• PubChem SID: 164232963
• PubChem CID: 529387

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7918616
• LogD (pH = 7.4): 0.7918616
• Log P: 0.7918616
• Molar Refractivity: 36.7853 cm^3
• Polarizability: 15.435998 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; DMSO
• Apperance: Clear Colourless Oil
• Boiling Point: 85°C/0.5 mm

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Water Sensitive

DETAILS

Toronto Research Chemicals - P838250

Reacts specifically and rapidly with thiols to form mixed disulfides. PMTS covalently binds to cystein residues introduced into a specific second transmembrane site in the glycine receptor and g-aminobutyric acid type A receptor subunits and irreversibly

REFERENCES

• Xu, M. & Akabus, M.H.: J. Biol. Chem., 268, 21505 (1993)
• Duhten, R.L., et al.: Biochemistry, 32, 3139 (1993)
• Yang, N. et al.: Neuron, 16, 113 (1993)
• Kuner, T. et al.: Neuron, 17, 343 (1993)
• Mascia, M.P., et al.: PNAS, 97, 16, 9305 (2000)