3-Hydroxypropyl p-Methoxybenzyl Thioether , CAS No.202665-68-7

CAS: 202665-68-7 Cat. No.: H1032206 Formula: C₁₁H₁₆O₂S Peso molecolare: 212.31 PubChem CID: 3458542

Storage

Room temperature

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Nomi e identificatori

Sorrisi canonici

COC1=CC=C(C=C1)CSCCCO

IUPAC Name

3-[(4-methoxyphenyl)methylsulfanyl]propan-1-ol

InChIKey

CFKLXMNRDPVQNB-UHFFFAOYSA-N

INCHI

1S/C11H16O2S/c1-13-11-5-3-10(4-6-11)9-14-8-2-7-12/h3-6,12H,2,7-9H2,1H3

Isomeri SMILES

COC1=CC=C(C=C1)CSCCCO

PubChem CID

3458542

Peso molecolare

212.31

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: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Sulfenyl compounds Dialkylthioethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Sulfenyl compound - Thioether - Ether - Dialkylthioether - Primary alcohol - Organosulfur compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 212.310 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 212.087 Da
• Monoisotopic Mass: 212.087 Da
• Topological Polar Surface Area: 54.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 133.000
• 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

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 202665-68-7, the molecular formula is C11H16O2S, and the molecular weight is 212.31 g/mol. InChIKey CFKLXMNRDPVQNB-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.