2,3-Butanedithiol

Product Information

Molecular Formula:
C4H10S2
Molecular Weight:
122.24
Description
2,3-Butanedithiol is an alkanethiol.
Synonyms
FEMA 3477; 1,4-DIMERCAPTOBUTANE; 2,3-DIMERCAPTOBUTANE; 2,3-BUTANEDITHIOL; 2,3-Butandithiol; butane-2,3-dithiol
IUPAC Name
butane-2,3-dithiol
Canonical SMILES
CC(C(C)S)S
InChI
InChI=1S/C4H10S2/c1-3(5)4(2)6/h3-6H,1-2H3
InChI Key
TWWSEEHCVDRRRI-UHFFFAOYSA-N
Boiling Point
86°C (50 torr)
Flash Point
52 °C
Purity
95%
Density
0.995
Solubility
1761 mg/L at 25 °C (est)
Appearance
Colorless liquid
Refractive Index
1.517-1.527
LogP
2.004 (est)

Safety Information

Hazards
H226:
Flammable liquid and vapour.
H302:
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P210:
Keep away from heat, sparks, open flames, hot surfaces. No smoking.
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P370+P378:
In case of fire:
Use for extinction:

Computed Properties

XLogP3
1.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
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
30.5
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
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
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JP-2022022973-A Adhesives and adhesive sheets 2021-04-23
CN-113321971-A Photo-curing ink and preparation method thereof 2021-04-13
CN-112707984-A 4D printing photosensitive resin based on dynamic covalent bond and preparation method thereof 2021-01-11
JP-2021006632-A Adhesives and adhesive sheets and how to use them 2020-09-11
CN-111987354-A PEO side chain segment-containing solid lithium battery polymer electrolyte and preparation method thereof 2020-08-31
US-2022056161-A1 Articles comprising crosslinked polymer network comprising thioether crosslinks and process of making and using same 2020-08-21
KR-20220018190-A Method for producing ductile thin films having inorganic semiconductors for stretchable electronic devices 2020-08-06
KR-20220012648-A Photocurable siloxane resin composition and cured product thereof 2020-07-23
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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