1,4-Butanedithiol

Product Information

Molecular Formula:
C4H10S2
Molecular Weight:
122.25
Description
1,4-Butanedithiol (CAS# 1191-08-8) is a useful research chemical.
Synonyms
butane-1,4-dithiol
IUPAC Name
butane-1,4-dithiol
Canonical SMILES
C(CCS)CS
InChI
InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2
InChI Key
SMTOKHQOVJRXLK-UHFFFAOYSA-N
Boiling Point
195 °C
Flash Point
113 °C(235.4 °F)
Purity
97 %
Density
1.04 g/cm3
Appearance
Clear colorless to pale yellow liquid
Refractive Index
1.529 (lit.)
LogP
1.62620

Safety Information

Hazards
H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
1.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
122.02239267 g/mol
Monoisotopic Mass
122.02239267 g/mol
Topological Polar Surface Area
2Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
17.5
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-114181417-A Thermosetting dielectric elastomer film and dielectric driver thereof 2021-12-06
CN-114023886-A Lead sulfide quantum dot/polymer hybrid solar cell and preparation method thereof 2021-10-12
CN-113736085-A Photosensitive resin composition for photocuring 3D printing and preparation method and application thereof 2021-09-29
CN-113744928-A Antioxidant transparent conductive film and preparation method and application thereof 2021-08-10
CN-113764120-A Oxidation-resistant copper film/copper wire and preparation method and application thereof 2021-08-10
CN-113444220-A Isosorbide-based antibacterial self-healing polyurethane and preparation method and application thereof 2021-06-25
CN-113444220-B Isosorbide-based antibacterial self-healing polyurethane and preparation method and application thereof 2021-06-25
CN-113416309-A Sulfonium salt cationic polymer with antibacterial performance, preparation method and application 2021-05-18
JP-2022022973-A Adhesives and adhesive sheets 2021-04-23
CN-113321971-A Photo-curing ink and preparation method thereof 2021-04-13

Literatures

PMID Publication Date Title Journal
22107333 2011-12-21 Interstaple dithiol cross-linking in Au25(SR)18 nanomolecules: a combined mass spectrometric and computational study Journal of the American Chemical Society
20397655 2010-06-15 On the thermodynamic stability of alpha,omega-alkanedithiols self-assembled monolayers on unreconstructed and reconstructed Au(111) Langmuir : the ACS journal of surfaces and colloids
16853071 2005-09-01 Deposition of gold nanoparticles onto thiol-functionalized multiwalled carbon nanotubes The journal of physical chemistry. B
16852952 2005-08-18 Gating of enhanced electron-charging thresholds in self-assembled nanoparticle films The journal of physical chemistry. B
11583541 2001-10-10 The RS-.HSR Hydrogen Bond: acidities of alpha,omega-dithiols and electron affinities of their monoradicals Journal of the American Chemical Society
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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