3,6-Dioxa-1,8-octanedithiol

Product Information

Molecular Formula:
C6H14O2S2
Molecular Weight:
182.30
Description
The unique chemical properties of 3,6-Dioxa-1,8-octanedithiol make it a strong competitor for drug synthesis and drug delivery in cancer, cardiovascular diseases, and neurological diseases.
Synonyms
DODT; HS-Et-O-Et-O-Et-SH; 1,2-Bis(2-mercaptoethoxy)ethane
IUPAC Name
2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol
Canonical SMILES
SCCOCCOCCS
InChI
InChI=1S/C6H14O2S2/c9-5-3-7-1-2-8-4-6-10/h9-10H,1-6H2
InChI Key
HCZMHWVFVZAHCR-UHFFFAOYSA-N
Boiling Point
225 °C(lit.)
Flash Point
100 °C(212.0 °F)
Purity
95%
Density
1.082g/cm3
Appearance
Colorless to Light yellow to Light orange clear liquid
Storage
Store at 2-8°C
Refractive Index
1.509 (lit.)

Safety Information

Hazards
H301:
Toxic if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H332:
Harmful if inhaled.
H410:
Very toxic to aquatic life with long-lasting effects.
Precautionary Statement
P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310+P330:
IF SWALLOWED:
Immediately call a POISON CENTER or doctor/physician.
Rinse mouth.
P391:
Collect spillage.
Signal Word
Warning

Computed Properties

XLogP3
0.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
7
Exact Mass
182.04352203 g/mol
Monoisotopic Mass
182.04352203 g/mol
Topological Polar Surface Area
20.5Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
53.7
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114163598-A Self-repairing polyurethane derived from bio-based polyol and preparation method thereof 2021-12-24
CN-114181417-A Thermosetting dielectric elastomer film and dielectric driver thereof 2021-12-06
CN-113912473-A Method for preparing hexafluoropropylene trimer by liquid phase method 2021-11-11
CN-113929908-A Bio-based antibacterial adhesive and preparation method thereof 2021-09-28
CN-113831506-A Photo-thermal dual-response shape memory material and preparation method and application thereof 2021-09-23
CN-113667094-A Exposure-resistant isocyanate composition, preparation method and application thereof in preparation of high-strength polyurethane optical resin 2021-08-31
CN-113736199-A Near-infrared response composite material for 4D printing and preparation method and application thereof 2021-08-30
CN-113582771-A Preparation method of slow-release fertilizer based on high polymer 2021-08-24
CN-113667135-A Preparation method of intrinsic carbon nanotube/liquid crystal elastomer and application of intrinsic carbon nanotube/liquid crystal elastomer in actuator 2021-08-20
CN-113461941-A Preparation method of multiple shape memory material 2021-07-30

Literatures

PMID Publication Date Title Journal
22574871 2012-06-07 Oxidation of 3,6-dioxa-1,8-octanedithiol by platinum(IV) anticancer prodrug and model complex: kinetic and mechanistic studies The journal of physical chemistry. B
22133097 2012-01-09 Green polymer chemistry: living dithiol polymerization via cyclic intermediates Biomacromolecules
22253873 2012-01-01 Novel protocol for the chemical synthesis of crustacean hyperglycemic hormone analogues--an efficient experimental tool for studying their functions PloS one
21531180 2011-06-01 Influence of different spacer arms on Mimetic Ligand™ A2P and B14 membranes for human IgG purification Journal of chromatography. B, Analytical technologies in the biomedical and life sciences
20462176 2010-06-14 Rapid approach to biobased telechelics through two one-pot thiol-ene click reactions Biomacromolecules
18576448 2008-07-21 Synthesis, conformation, and activity of human insulin-like peptide 5 (INSL5) Chembiochem : a European journal of chemical biology
15579131 2004-12-01 Stability and cleavage conditions of (2-furyl)-L-alanine-containing peptides Protein and peptide letters
12370025 2002-10-01 The use of DODT as a non-malodorous scavenger in Fmoc-based peptide synthesis Protein and peptide letters
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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