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

CAS: 1073-72-9 Cat. No.: M100813 분자식: C₇H₈OS 분자량: 140.2 EC 번호: 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

개요

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

동의어

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

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488181937

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

CSC1=CC=C(C=C1)O

WGK 독일

3

RTECS

SM1578500

분자량

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
    • 분류 Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: souble in Methanol
• 끓는점(°C): 154°C/19mmHg
• 녹는점(°C): 86°C
• 분자량: 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