3-Methoxythiophenol - ≥98% , CAS No.15570-12-4

CAS: 15570-12-4 Cat. No.: M101779 Fórmula: CH₃OC₆H₄SH Peso molecular: 140.2 Beilstein Registry Number: 2041496 Número EC: 239-617-7

GRADE & PURITY ≥98%

Synonyms

BP-10733 | m-Methoxy phenyl mercaptan | 3-methyloxy-benzenethiol | PS-3033 | AKOS005257798 | m-Methoxythiophenol | (M-METHOXYPHENYL)THIOL | NSC-518339 | 3-Methoxy thiophenol | 3-methoxy -thiophenol | AMY21950 | 3-Mercaptoanisole | 3-METHOXYBENZENE-1-THIOL

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

3-Methoxythiophenol was used in the preparation of allenes。

Specifications

Sinónimos

BP-10733 | m-Methoxy phenyl mercaptan | 3-methyloxy-benzenethiol | PS-3033 | AKOS005257798 | m-Methoxythiophenol | (M-METHOXYPHENYL)THIOL | NSC-518339 | 3-Methoxy thiophenol | 3-methoxy -thiophenol | AMY21950 | 3-Mercaptoanisole | 3-METHOXYBENZENE-1-THIOL

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

508809045

Sonrisas canónicas

COC1=CC(=CC=C1)S

IUPAC Name

3-methoxybenzenethiol

InChIKey

QMVAZEHZOPDGHA-UHFFFAOYSA-N

INCHI

1S/C7H8OS/c1-8-6-3-2-4-7(9)5-6/h2-5,9H,1H3

Isómeros SMILES

COC1=CC(=CC=C1)S

WGK Alemania

3

Número ONU

2810

Peso molecular

140.2

Beilstein

2041496

Reaxy-Rn

2041496

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041496&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Thiophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Thiophenols
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophenols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Thiols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Thiophenol - Phenol ether - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Arylthiol - Ether - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Not miscible or difficult to mix in water. Soluble in methanol, benzene, hexane, toluene and dichloromethane.
• Sensibilidad: Air sensitive.
• Índice de refracción: 1.587
• Punto de inflamación (°F): 204.8 °F
• Punto de inflamación (°C): 96 °C
• Punto de ebullición (°C): 223-226°C
• Peso molecular: 140.200 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.03 Da
• Monoisotopic Mass: 140.03 Da
• Topological Polar Surface Area: 10.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 85.000
• 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