1,2-Ethanedithiol

Product Information

Molecular Formula:
C2H6S2
Molecular Weight:
94.20
Description
1,2-Ethanedithiol (CAS# 540-63-6) is used in the synthesis of pH-sensitive biodegradable micelles. Also used in the preparation of biarsenical cyanine probes for imaging and tagging cytosolic bacterial proteins.
Synonyms
ethane-1,2-dithiol
IUPAC Name
ethane-1,2-dithiol
Canonical SMILES
C(CS)S
InChI
InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2
InChI Key
VYMPLPIFKRHAAC-UHFFFAOYSA-N
Boiling Point
146 °C
Melting Point
-41.2 °C
Flash Point
44 °C(111.2 °F)
Purity
> 99.0 % (GC)
Density
1.123 g/cm3
Solubility
Freely soluble in alkalies
Appearance
Colorless to almost colorless clear liquid
Application
Used as a metal-complexing agent.
Refractive Index
1.558 (lit.)
LogP
0.84600
Vapor Pressure
5.61 [mmHg]
Henry's Law Constant
1.2X10-4 atm-cu m/mol at 25 °C (est)
Decomposition
When heated to decomposition it emits very toxic fumes of /sulfur oxides
Dissociation Constants
pKa = 8.96 at 30 °C

Safety Information

Hazards
H226:
Flammable liquid and vapour.
H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
Precautionary Statement
P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P280, P284, P301+P310, P301+P312, P302+P350, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P337+P313, P361, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word
Danger

Computed Properties

XLogP3
0.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
93.99109254 g/mol
Monoisotopic Mass
93.99109254 g/mol
Topological Polar Surface Area
2Ų
Heavy Atom Count
4
Formal Charge
0
Complexity
6
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

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CN-114141892-A Ferroelectric-semiconductor quantum dot coupling enhanced solar cell and preparation method thereof 2021-11-26
CN-114014789-A Sulfur-containing high-refractive-index monomer and application thereof 2021-11-25
CN-113929921-A Covalent organic framework material with sulfydryl functionalized beta-keto enamine structure and preparation method and application thereof 2021-11-24

Literatures

PMID Publication Date Title Journal
22771618 2012-09-01 Handling a tricycle: orthogonal versus random oxidation of the tricyclic inhibitor cystine knotted peptide gurmarin Peptides
22684195 2012-07-28 New organometallic single-source precursors for CuGaS(2)-polytypism in gallite nanocrystals obtained by thermolysis Dalton transactions (Cambridge, England : 2003)
22676410 2012-07-17 Carbon isotope fractionation in reactions of 1,2-dibromoethane with FeS and hydrogen sulfide Environmental science & technology
22966669 2012-07-01 Fabrication of organic shell-covered gold nanospheres with near-infrared absorption Journal of nanoscience and nanotechnology
22453677 2012-05-28 Synthesis, structure, properties and immobilization on a gold surface of the monoribbed-functionalized tris-dioximate cobalt(II) clathrochelates and an electrocatalytic hydrogen production from H+ ions Dalton transactions (Cambridge, England : 2003)
21986516 2012-05-01 Sonication-assisted layer-by-layer deposition of gold nanoparticles for highly conductive gold patterns Ultrasonics sonochemistry
22133097 2012-01-09 Green polymer chemistry: living dithiol polymerization via cyclic intermediates Biomacromolecules
22457833 2012-01-01 Rational design and characterization of D-Phe-Pro-D-Arg-derived direct thrombin inhibitors PloS one
22500212 2012-01-01 Elucidation of the Rotavirus NSP4-Caveolin-1 and -Cholesterol Interactions Using Synthetic Peptides Journal of amino acids
22550393 2012-01-01 Characterization of an antibody that recognizes peptides containing D-β-aspartyl residues Molecular vision
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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