2-Naphthalenethiol - ≥97% , CAS No.91-60-1

CAS: 91-60-1 Cat. No.: N753532 分子式: C₁₀H₇SH 分子量: 160.24 Beilstein Registry Number: 636389 EC番号: 202-082-5

グレード＆純度 ≥97%

Synonyms

Naphthalene-2-thiol | 2-Mercaptonaphthalene | 2-Thionaphthol | 2-Naphthyl mercaptan | Thionaphthol | 2-Naphthyl thiol

Storage

Room temperature,Argon charged

Shipped In

Normal

概要

It was used in the preparation of cholesterol monolayer and multilayer Langmuir- Blodgett (LB) films. The electrochemical barrier properties of these films were studied using cyclic voltammetry and electrochemical impedance spectroscopy.

仕様

同義語

Naphthalene-2-thiol | 2-Mercaptonaphthalene | 2-Thionaphthol | 2-Naphthyl mercaptan | Thionaphthol | 2-Naphthyl thiol

仕様と純度

≥97%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

528757661

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528757661

カノニカル・スマイル

C1=CC=C2C=C(C=CC2=C1)S

IUPAC Name

naphthalene-2-thiol

InChIKey

RFCQDOVPMUSZMN-UHFFFAOYSA-N

INCHI

1S/C10H8S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H

異性体SMILES

C1=CC=C2C=C(C=CC2=C1)S

WGKドイツ

3

RTECS

QK3930000

UN番号

3335

分子量

160.24

Beilstein

636389

Reaxy-Rn

636389

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636389&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Thiophenols Thiols Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Thiophenol - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

化学的性質と物理的性質

• 溶解度: Soluble in alcohol, dipropylene glycol. Soluble in water 34.4 mg/L @ 25°C.
• 感度: Air sensitive.
• 沸点（°C）: 286°C
• 融点（°C）: 79-81°C
• 分子量: 160.240 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 160.035 Da
• Monoisotopic Mass: 160.035 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• 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: 1