4,4'-Dithiodibutyric acid

Inquiry

Molecular Formula:

C8H14O4S2

Molecular Weight:

238.32

CAS Number:

2906-60-7

Catalog Number:

2906-60-7

Product Information

Molecular Formula:

C8H14O4S2

Molecular Weight:

238.32

Description

4,4'-Dithiodibutyric acid (CAS# 2906-60-7) is a useful research chemical.

Synonyms

4-(3-carboxypropyldisulfanyl)butanoic acid

IUPAC Name

4-(3-carboxypropyldisulfanyl)butanoic acid

Canonical SMILES

C(CC(=O)O)CSSCCCC(=O)O

InChI

InChI=1S/C8H14O4S2/c9-7(10)3-1-5-13-14-6-2-4-8(11)12/h1-6H2,(H,9,10)(H,11,12)

InChI Key

YYSCJLLOWOUSHH-UHFFFAOYSA-N

Boiling Point

350.93 °C (rough estimate)

Melting Point

108-110 °C (lit.)

Purity

> 99.0 % (GC) (T)

Density

1.34 g/cm³

Solubility

Other solvents(Soluble) : Methanol

Appearance

White to tan solid

Storage

Sealed in dry. Room temperature.

Refractive Index

1.4950 (estimate)

LogP

2.09740

Safety Information

Hazards

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

0.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

238.03335127 g/mol

Monoisotopic Mass

238.03335127 g/mol

Topological Polar Surface Area

125Å²

Heavy Atom Count

Formal Charge

Complexity

164

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

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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4,4'-Dithiodibutyric acid

Product Information

Safety Information

Computed Properties

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