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

CAS: 24734-68-7 Cat. No.: P695054 Formule: C₉H₁₂S Poids moléculaire: 152.26 Numéro CE: 246-440-9 PubChem CID: 90596

GRADE & PURITY ≥95%

Synonyms

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

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Propriétés du produit

• ALogP: 3.2

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: C1=CC=C(C=C1)CCCS
• PubChem CID: 90596
• Poids moléculaire: 152.26

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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