1-Pentadecanethiol - ≥98%(GC) , CAS No.25276-70-4

CAS: 25276-70-4 Cat. No.: P160537 Formule: C₁₅H₃₂S Poids moléculaire: 244.48 PubChem CID: 91373

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD00059147 | FT-0757822 | n-Pentadecyl Mercaptan | 1-Pentadecanethiol | Pentadecyl Mercaptan | DTXSID00179922 | J-015903 | SCHEMBL133113 | AKOS028108541 | N-PENTADECYLMERCAPTAN | IGMQODZGDORXEN-UHFFFAOYSA-N | Pentadecane-1-thiol | P0836 | EINECS 246-785

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

MFCD00059147 | FT-0757822 | n-Pentadecyl Mercaptan | 1-Pentadecanethiol | Pentadecyl Mercaptan | DTXSID00179922 | J-015903 | SCHEMBL133113 | AKOS028108541 | N-PENTADECYLMERCAPTAN | IGMQODZGDORXEN-UHFFFAOYSA-N | Pentadecane-1-thiol | P0836 | EINECS 246-785

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Sourires canoniques: CCCCCCCCCCCCCCCS
• IUPAC Name: pentadecane-1-thiol
• InChIKey: IGMQODZGDORXEN-UHFFFAOYSA-N
• INCHI: 1S/C15H32S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
• Isomères SMILES: CCCCCCCCCCCCCCCS
• PubChem CID: 91373
• Poids moléculaire: 244.48
• Reaxy-Rn: 1744555

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thiols
• Subclass: Alkylthiols
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylthiols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.
• 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

• Sensibilité: air sensitive
• Indice de réfraction: 1.46
• Point d'ébullition (°C): 325°C(lit.)
• Point de fusion (°C): 22 °C
• Poids moléculaire: 244.500 g/mol
• XLogP3: 7.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 244.222 Da
• Monoisotopic Mass: 244.222 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 112.000
• 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