4-Methoxythioanisole - ≥98% , CAS No.1879-16-9

CAS: 1879-16-9 Cat. No.: M101846 Formule: C₈H₁₀OS Poids moléculaire: 154.23 Beilstein Registry Number: 6(4)5791 Numéro CE: 627-502-8

GRADE & PURITY ≥98%

Synonyms

1-Methoxy-4-(methylthio)benzene | Methyl p-anisyl sulfide | MMTB | Methyl p-methoxyphenyl sulfide | 4-Methoxythioanisole | p-Methoxyphenyl methyl sulfide | D91543 | Benzene, 1-methoxy-4-(methylthio)- | 1-Methoxy-4-(methylsulfanyl)benzene | NSC 124839 | 1-

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

4-Methoxythioanisole has been used in preparation of 1-methoxy-4-(methylsulfinyl)benzene

Specifications

Synonymes

1-Methoxy-4-(methylthio)benzene | Methyl p-anisyl sulfide | MMTB | Methyl p-methoxyphenyl sulfide | 4-Methoxythioanisole | p-Methoxyphenyl methyl sulfide | D91543 | Benzene, 1-methoxy-4-(methylthio)- | 1-Methoxy-4-(methylsulfanyl)benzene | NSC 124839 | 1-

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504752717
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752717
• Sourires canoniques: COC1=CC=C(C=C1)SC
• IUPAC Name: 1-methoxy-4-methylsulfanylbenzene
• InChIKey: DQNSKXYRRRCKGH-UHFFFAOYSA-N
• INCHI: 1S/C8H10OS/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
• Isomères SMILES: COC1=CC=C(C=C1)SC
• WGK Allemagne: 3
• Numéro ONU: 3335
• Poids moléculaire: 154.23
• Beilstein: 6(4)5791
• Reaxy-Rn: 2042074
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042074&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Thiophenol ethers Phenoxy compounds Methoxybenzenes Alkylarylthioethers Alkyl aryl ethers Sulfenyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Sulfenyl compound - Ether - Thioether - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.5795
• Point d'éclair (°F): 226.4 °F
• Point d'éclair (°C): 108 °C
• Point d'ébullition (°C): 99°C/4mmHg
• Point de fusion (°C): 22-23°C
• Poids moléculaire: 154.230 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 154.045 Da
• Monoisotopic Mass: 154.045 Da
• Topological Polar Surface Area: 34.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 87.300
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 1879-16-9, the molecular formula is C8H10OS, and the molecular weight is 154.23 g/mol. InChIKey DQNSKXYRRRCKGH-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.