Bis(4-hydroxy-3-methylphenyl) Sulfide - ≥98%(GC) , CAS No.24197-34-0

CAS: 24197-34-0 Cat. No.: B153223 Formula: C₁₄H₁₄O₂S Peso molecolare: 246.32 Beilstein Registry Number: 6(4)5875 Numero EC: 403-330-7

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS015856242 | Bis(4-hydroxy-3-methylphenyl) Sulfide | 4,4'-Thiodi-o-cresol | BS-44066 | MFCD00142117 | 4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol | D88822 | EC 403-330-7 | DTXSID30347197 | di(3-methyl-4-hydroxyphenyl)sulfide | hsp90_156 | SCHEM

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

AKOS015856242 | Bis(4-hydroxy-3-methylphenyl) Sulfide | 4,4'-Thiodi-o-cresol | BS-44066 | MFCD00142117 | 4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol | D88822 | EC 403-330-7 | DTXSID30347197 | di(3-methyl-4-hydroxyphenyl)sulfide | hsp90_156 | SCHEM

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

508812688

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812688

Sorrisi canonici

CC1=C(C=CC(=C1)SC2=CC(=C(C=C2)O)C)O

IUPAC Name

4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol

InChIKey

IBNFPRMKLZDANU-UHFFFAOYSA-N

INCHI

1S/C14H14O2S/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12/h3-8,15-16H,1-2H3

Isomeri SMILES

CC1=C(C=CC(=C1)SC2=CC(=C(C=C2)O)C)O

Peso molecolare

246.32

Beilstein

6(4)5875

Reaxy-Rn

2530426

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2530426&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: Diarylthioethers
• Alternative Parents: Thiophenol ethers Ortho cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Sulfenyl compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diarylthioether - Thiophenol ether - O-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Sensibilità: Air Sensitive
• Punto di fusione (°C): 123 °C
• Peso molecolare: 246.330 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 246.071 Da
• Monoisotopic Mass: 246.071 Da
• Topological Polar Surface Area: 65.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 222.000
• 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