4-(Methylmercapto)phenol - ≥98% , CAS No.1073-72-9

CAS: 1073-72-9 Cat. No.: M100813 Formule: C₇H₈OS Poids moléculaire: 140.2 Numéro CE: 214-031-4

GRADE & PURITY ≥98%

Synonyms

FT-0616822 | 4-(METHYLSULFENYL)PHENOL | UNII-9T83QI0Z1L | 4-methylsulfanylphenol | 4-methylsulfanyl-phenol | M0441 | 9T83QI0Z1L | 4-methylmercapto-phenol | STL388046 | 1-HYDROXY,4-METHYLTHIO-BENZENE (4-METHYLTHIO-PHENOL) | p-Hydroxyphenyl methyl sulfide

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Product Description：

4-(Methylmercapto)phenol (4MP) mediates the removal of benzyloxycarbonyl and O-benzyl protecting groups by accepting the benzyl groups during the acidolytic cleavage with trifluoroacetic acid. The presence of hydroxyl group in the para position enhances the rate of hydrodesulfurization (HDS) of 4MP.

Product Application：

[4-(Methylthio)phenol] may be used in the preparation of phosphoramidodithioate intermediates for the synthesis of sulprofos amidate.

Specifications

Synonymes

FT-0616822 | 4-(METHYLSULFENYL)PHENOL | UNII-9T83QI0Z1L | 4-methylsulfanylphenol | 4-methylsulfanyl-phenol | M0441 | 9T83QI0Z1L | 4-methylmercapto-phenol | STL388046 | 1-HYDROXY,4-METHYLTHIO-BENZENE (4-METHYLTHIO-PHENOL) | p-Hydroxyphenyl methyl sulfide

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488181937

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181937

Sourires canoniques

CSC1=CC=C(C=C1)O

IUPAC Name

4-methylsulfanylphenol

InChIKey

QASBCTGZKABPKX-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

CSC1=CC=C(C=C1)O

WGK Allemagne

3

RTECS

SM1578500

Poids moléculaire

140.2

Reaxy-Rn

2041507

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041507&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Thiophenol ethers Alkylarylthioethers 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Sulfenyl compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl thioether - Thiophenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkylarylthioether - Phenol - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• External Descriptors: aryl sulfide - phenols

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

• Solubilité: souble in Methanol
• Point d'ébullition (°C): 154°C/19mmHg
• Point de fusion (°C): 86°C
• Poids moléculaire: 140.200 g/mol
• XLogP3: 2.100
• 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: 45.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 77.000
• 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