1-Deoxy-1-Thio-Heptaethylene Glycol

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3).

Polyethylene glycols

Organic compounds

Organooxygen compounds

Ethers

Dialkyl ethers

Calculated Property

kind Value Source
logP 0.18 ALOGPS
logS -3.3 ALOGPS
Water Solubility 1.72e-01 g/l ALOGPS
logP -0.4 ChemAxon
IUPAC Name 20-sulfanyl-3,6,9,12,15,18-hexaoxaicosan-1-ol ChemAxon
Traditional IUPAC Name 20-sulfanyl-3,6,9,12,15,18-hexaoxaicosan-1-ol ChemAxon
Molecular Weight 342.449 ChemAxon
Monoisotopic Weight 342.171224004 ChemAxon
SMILES OCCOCCOCCOCCOCCOCCOCCS ChemAxon
Molecular Formula C14H30O7S ChemAxon
InChI InChI=1S/C14H30O7S/c15-1-2-16-3-4-17-5-6-18-7-8-19-9-10-20-11-12-21-13-14-22/h15,22H,1-14H2 ChemAxon
InChIKey InChIKey=ACMBXVJDKVNCGH-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 75.61 ChemAxon
Refractivity 87 ChemAxon
Polarizability 40.13 ChemAxon
Rotatable Bond Count 19 ChemAxon
H Bond Acceptor Count 7 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 9.97 ChemAxon
pKa (strongest basic) -2.7 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Acetylcholinesterase : in Human