4-(Methylthio)benzhydrol , CAS No.183729-63-7

CAS: 183729-63-7 Cat. No.: M1002183 Formula: C₁₄H₁₄OS Peso molecolare: 230.33 PubChem CID: 2760079

Storage

Room temperature

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Nomi e identificatori

• Sorrisi canonici: CSC1=CC=C(C=C1)C(C2=CC=CC=C2)O
• IUPAC Name: (4-methylsulfanylphenyl)-phenylmethanol
• InChIKey: RROPBGMZDNWBMK-UHFFFAOYSA-N
• INCHI: 1S/C14H14OS/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14-15H,1H3
• Isomeri SMILES: CSC1=CC=C(C=C1)C(C2=CC=CC=C2)O
• PubChem CID: 2760079
• Peso molecolare: 230.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Thiophenol ethers Alkylarylthioethers Secondary alcohols Sulfenyl compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Aryl thioether - Thiophenol ether - Alkylarylthioether - Secondary alcohol - Sulfenyl compound - Thioether - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organosulfur compound - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl 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

• Peso molecolare: 230.330 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 230.077 Da
• Monoisotopic Mass: 230.077 Da
• Topological Polar Surface Area: 45.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 193.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

How should this product be stored?

Store at room temperature.

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

The CAS Number is 183729-63-7, the molecular formula is C14H14OS, and the molecular weight is 230.33 g/mol. InChIKey RROPBGMZDNWBMK-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.