Sodium 3-mercapto-1-propanesulfonate - ≥90% , CAS No.17636-10-1

CAS: 17636-10-1 Cat. No.: S106463 Molecular Weight: 178.21 Beilstein Registry Number: 5362242 EC Number: 241-620-3

GRADE & PURITY ≥90%

Synonyms

MPS | DTXSID6066232 | 2-(2-AMINO-PHENYL)-OXAZOLE-4-CARBOXYLICACIDETHYLESTER | Sodium 3-mercapto-1-propanesulfonate, technical grade, 90% | 1,2,3,4-tetrahydro-1H-pyrido[3,4-b]indole | 3-Mercapto-1-propanesulfonic acid, sodium salt | sodium 3-mercaptopropan

Storage

Room temperature

Shipped In

Normal

Overview

Sodium 3-mercapto-1-propanesulfonate forms self assembled monolayer via chemisorption on a gold-coated substrate.
Usually used in preparation of Rh nanoparticles by liquid-phase reduction of rhodium (III) chloride.

Specifications

Synonyms

MPS | DTXSID6066232 | 2-(2-AMINO-PHENYL)-OXAZOLE-4-CARBOXYLICACIDETHYLESTER | Sodium 3-mercapto-1-propanesulfonate, technical grade, 90% | 1, 2, 3, 4-tetrahydro-1H-pyrido[3, 4-b]indole | 3-Mercapto-1-propanesulfonic acid, sodium salt | sodium 3-mercaptopropan

Specifications & Purity

≥90%

Storage

Room temperature

Shipped In

Normal

Purity

≥90%

Names and Identifiers

• Pubchem Sid: 488200457
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200457
• Canonical Smiles: C(CS)CS(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;3-sulfanylpropane-1-sulfonate
• InChIKey: FRTIVUOKBXDGPD-UHFFFAOYSA-M
• INCHI: 1S/C3H8O3S2.Na/c4-8(5,6)3-1-2-7;/h7H,1-3H2,(H,4,5,6);/q;+1/p-1
• Isomeric SMILES: C(CS)CS(=O)(=O)[O-].[Na+]
• WGK Germany: 1
• RTECS: TZ6655600
• Alternate CAS: 49594-30-1
• Molecular Weight: 178.21
• Beilstein: 5362242
• Reaxy-Rn: 5362242

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Alkylthiols Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic alkali metal salt - Alkylthiol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: water: soluble 50 mg/mL, colorless
• Flash Point(°F): 159.8 °F
• Flash Point(°C): 71 °C
• Melt Point(°C): 220°C
• Molecular Weight: 178.200 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 177.973 Da
• Monoisotopic Mass: 177.973 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 136.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

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