Sodium 3-mercapto-1-propanesulfonate

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Molecular Formula:

C3H7NaO3S2

Molecular Weight:

178.21

CAS Number:

17636-10-1

Catalog Number:

17636-10-1

Product Information

Molecular Formula:

C3H7NaO3S2

Molecular Weight:

178.21

Description

Applications: Sodium 3-Mercapto-1-propanesulfonate is a reagent used in the synthesis of polyelectrolytes which are important in many biological functions and technical applications.

Synonyms

sodium;3-sulfanylpropane-1-sulfonate

IUPAC Name

sodium;3-sulfanylpropane-1-sulfonate

Canonical SMILES

C(CS)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C3H8O3S2.Na/c4-8(5,6)3-1-2-7;/h7H,1-3H2,(H,4,5,6);/q;+1/p-1

InChI Key

FRTIVUOKBXDGPD-UHFFFAOYSA-M

Melting Point

220 °C (dec.)

Flash Point

71 °C

Purity

95 %

Solubility

Water : soluble 50 mg/mL, colorless

Appearance

White powder

LogP

0.93230

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

177.97343071 g/mol

Monoisotopic Mass

177.97343071 g/mol

Topological Polar Surface Area

66.6Å²

Heavy Atom Count

Formal Charge

Complexity

136

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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Sodium 3-mercapto-1-propanesulfonate

Product Information

Safety Information

Computed Properties

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