3-Phenyl-1-propanethiol - ≥95% , CAS No.24734-68-7

CAS: 24734-68-7 Cat. No.: P695054 Fórmula: C₉H₁₂S Peso molecular: 152.26 Número EC: 246-440-9 PubChem CID: 90596

CALIDAD & PUREZA ≥95%

Synonyms

Zinc05138975 | 3-Phenylpropanethio | Benzenepropanethiol | 3-PHENYL-1-PROPANETHIOL | 3-Phenylpropane-1-thiol

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificaciones

Sinónimos

Zinc05138975 | 3-Phenylpropanethio | Benzenepropanethiol | 3-PHENYL-1-PROPANETHIOL | 3-Phenylpropane-1-thiol

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Propiedades del producto

ALogP

3.2

Nombres e identificadores

Sonrisas canónicas

C1=CC=C(C=C1)CCCS

IUPAC Name

3-phenylpropane-1-thiol

InChIKey

IUSDGVJFDZRIBR-UHFFFAOYSA-N

INCHI

1S/C9H12S/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2

Isómeros SMILES

C1=CC=C(C=C1)CCCS

PubChem CID

90596

Peso molecular

152.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Alkylthiols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Alkylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Propiedades químicas y físicas

• Peso molecular: 152.260 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 152.066 Da
• Monoisotopic Mass: 152.066 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 74.800
• 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