2,3-Butanedithiol

Name: 2,3-Butanedithiol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

Molecular Formula:

C4H10S2

Molecular Weight:

122.24

CAS Number:

4532-64-3

Catalog Number:

4532-64-3

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

122.02239267 g/mol

Monoisotopic Mass

122.02239267 g/mol

Topological Polar Surface Area

2Å²

Heavy Atom Count

Formal Charge

Complexity

30.5

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-113651948-A	Preparation method and application of benzoxazine-based modified thiol epoxy curing agent	2021-08-18
CN-113336750-A	Dithioacetal-containing pyridopyrimidone derivative and preparation and application thereof	2021-05-31
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

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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