2-Aminothiophenol - technical grade, ≥90% , CAS No.137-07-5

CAS: 137-07-5 Cat. No.: A477048 Summenformel: C₆H₇NS Molekulargewicht: 125.19 Beilstein Registry Number: 606076 EG-Nummer: 205-277-3

GRADE & PURITY Technical grade, ≥90%

Synonyms

BRN 0606076 | 2-aminobenzenthiol | 2-Mercaptaniline | D4F3JSV4X6 | 2-AMINOBENZENETHIOL | 2-Amino-benzenethiol | 2-Aminothiophenol, technical grade, 90% | CCRIS 9096 | UNII-D4F3JSV4X6 | USAF EK-4376 | EINECS 205-277-3 | aminothiophenol | o-Aminothiophenol

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Übersicht

Description

2-Aminothiophenol couples with Amberlite XAD by means of an N=N spacer to prepare a new functionalized resin for on-line preconcentration of copper and cadmium.2-Aminothiophenol was used in one-pot synthesis of stable phosphonium ylides. It was also used in the synthesis of 2-[(2-benzothiazolylmethyl)thio]-benzenamine. It was used to functionalize silver nano particles for biological pH sensing based on surface enhanced Raman scattering.

Specifications

Synonyme

BRN 0606076 | 2-aminobenzenthiol | 2-Mercaptaniline | D4F3JSV4X6 | 2-AMINOBENZENETHIOL | 2-Amino-benzenethiol | 2-Aminothiophenol, technical grade, 90% | CCRIS 9096 | UNII-D4F3JSV4X6 | USAF EK-4376 | EINECS 205-277-3 | aminothiophenol | o-Aminothiophenol

Spezifikationen & Reinheit

technical grade, ≥90%

Storage

Room temperature,Argon charged

Verschickt in

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Note

Technische Qualität

Reinheit

≥90%

Namen und Kennungen

Pubchem Sid

528756729

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528756729

Kanonisches Lächeln

C1=CC=C(C(=C1)N)S

IUPAC Name

2-aminobenzenethiol

InChIKey

VRVRGVPWCUEOGV-UHFFFAOYSA-N

INCHI

1S/C6H7NS/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2

Isomere SMILES

C1=CC=C(C(=C1)N)S

WGK Deutschland

3

RTECS

DC0600000

UN-Nummer

1760

Molekulargewicht

125.19

Beilstein

606076

Reaxy-Rn

606076

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606076&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Thiophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Thiophenols
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophenols
• Alternative Parents: Aniline and substituted anilines Thiols Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Thiophenol - Monocyclic benzene moiety - Arylthiol - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: H2O: slightly soluble
• Empfindlichkeit: Air sensitive
• Gefrierpunkt (°C): 18 °C
• Brechungsindex: 1.64-1.644
• Flammpunkt (°F): 174.2 °F
• Flammpunkt (°C): 79℃
• Siedepunkt (°C): 234°C
• Schmelzpunkt (°C): 23-26°C
• Molekulargewicht: 125.190 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 125.03 Da
• Monoisotopic Mass: 125.03 Da
• Topological Polar Surface Area: 27.000 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