3-Methylbenzenethiol - ≥97% , CAS No.108-40-7

CAS: 108-40-7 Cat. No.: M100575 Fórmula: C₇H₈S Peso molecular: 124.2 Beilstein Registry Number: 6(4)2079 Número EC: 203-578-4

CALIDAD & PUREZA ≥97%

Synonyms

USAF EK-2680 | 3-methyl thiophenol | 3-METHYLPHENYL MERCAPTAN | EINECS 203-578-4 | NSC81219 | NSC-81219 | Q27237236 | 3-Methylthiophenol | 3-methyl-thiophenol | AM10276 | m-Methylthiophenol | m-Tolylmercaptan | CK1158 | T0289 | thio-m-cresol | m-Tolueneth

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Especificaciones

Sinónimos

USAF EK-2680 | 3-methyl thiophenol | 3-METHYLPHENYL MERCAPTAN | EINECS 203-578-4 | NSC81219 | NSC-81219 | Q27237236 | 3-Methylthiophenol | 3-methyl-thiophenol | AM10276 | m-Methylthiophenol | m-Tolylmercaptan | CK1158 | T0289 | thio-m-cresol | m-Tolueneth

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

FedEx DG Service

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

504751514

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751514

Sonrisas canónicas

CC1=CC(=CC=C1)S

IUPAC Name

3-methylbenzenethiol

InChIKey

WRXOZRLZDJAYDR-UHFFFAOYSA-N

INCHI

1S/C7H8S/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3

Isómeros SMILES

CC1=CC(=CC=C1)S

WGK Alemania

3

RTECS

XT8700000

Número ONU

2810

Grupo de embalaje

III

Peso molecular

124.2

Beilstein

6(4)2079

Reaxy-Rn

1851959

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1851959&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: Toluenes Thiols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Thiophenol - Toluene - Monocyclic benzene moiety - Arylthiol - Hydrocarbon derivative - Organosulfur 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, soluble in ethanol and ether.
• Sensibilidad: Air Sensitive
• Índice de refracción: 1.5742-1.5772
• Punto de inflamación (°F): 163.4 °F
• Punto de inflamación (°C): 73 °C
• Punto de ebullición (°C): 195°C
• Peso molecular: 124.210 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 124.035 Da
• Monoisotopic Mass: 124.035 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.800
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 108-40-7, the molecular formula is C7H8S, and the molecular weight is 124.2 g/mol. InChIKey WRXOZRLZDJAYDR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.