2-Mercaptophenol(H2mp) - ≥98% , CAS No.1121-24-0

CAS: 1121-24-0 Cat. No.: M101784 Molecular Weight: 126.18 Beilstein Registry Number: 6(4)5633 EC Number: 214-326-8

GRADE & PURITY ≥98%

Synonyms

HTS | Isoleucine, DL- | AC-13757 | Phenol, mercapto- | Phenol, 2-mercapto- | Phenol,2-Mercapto- | VMKYTRPNOVFCGZ-UHFFFAOYSA- | 2-Sulfanylphenol | Phenol, o-mercapto- (6CI,7CI,8CI) | 2-(1H-Indol-3-yl)acetic acid | EINECS 214-326-8 | H1177 | A852903 | Albon

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

2-Mercaptophenol (H2mp) is a 1,2-bidentate sulfur containing ligand. It exhibits versatile coordination modes in its ligation to the transition metal atoms.

Specifications

Synonyms

HTS | Isoleucine, DL- | AC-13757 | Phenol, mercapto- | Phenol, 2-mercapto- | Phenol, 2-Mercapto- | VMKYTRPNOVFCGZ-UHFFFAOYSA- | 2-Sulfanylphenol | Phenol, o-mercapto- (6CI, 7CI, 8CI) | 2-(1H-Indol-3-yl)acetic acid | EINECS 214-326-8 | H1177 | A852903 | Albon

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504754560
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754560
• Canonical Smiles: C1=CC=C(C(=C1)O)S
• IUPAC Name: 2-sulfanylphenol
• InChIKey: VMKYTRPNOVFCGZ-UHFFFAOYSA-N
• INCHI: 1S/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
• Isomeric SMILES: C1=CC=C(C(=C1)O)S
• WGK Germany: 3
• RTECS: SL7375000
• UN Number: 2927
• Molecular Weight: 126.18
• Beilstein: 6(4)5633
• Reaxy-Rn: 1280884
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1280884&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Thiophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Thiophenols
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophenols
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Thiols Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Thiophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Arylthiol - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive.
• Refractive Index: 1.606
• Flash Point(°F): 230 °F
• Flash Point(°C): 97°C
• Boil Point(°C): 217°C
• Melt Point(°C): 6 °C
• Molecular Weight: 126.180 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.014 Da
• Monoisotopic Mass: 126.014 Da
• Topological Polar Surface Area: 21.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.900
• 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: 1