1-Adamantanethiol - ≥95% , CAS No.34301-54-7

CAS: 34301-54-7 Cat. No.: A169723 Fórmula: C₁₀H₁₆S Peso molecular: 168.30 Número EC: 628-498-0

CALIDAD & PUREZA ≥95%

Synonyms

1-Adamantylthiol | A924684 | 1-MERCAPTOADAMANTANES | NSC 193486 | 1-Methyl-4-hydroxycarbostyril | 1-Adamantanethiol, 95% | Tricyclo(3.3.1.13,7)decane-1-thiol | Ledermycin | (3s,5s,7s)-Adamantane-1-thiol | SCHEMBL179945 | Tocris-0705 | FT-0690958 | MFCD002

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Especificaciones

Sinónimos

1-Adamantylthiol | A924684 | 1-MERCAPTOADAMANTANES | NSC 193486 | 1-Methyl-4-hydroxycarbostyril | 1-Adamantanethiol, 95% | Tricyclo(3.3.1.13,7)decane-1-thiol | Ledermycin | (3s,5s,7s)-Adamantane-1-thiol | SCHEMBL179945 | Tocris-0705 | FT-0690958 | MFCD002

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

528754803

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528754803

Sonrisas canónicas

C1C2CC3CC1CC(C2)(C3)S

IUPAC Name

adamantane-1-thiol

InChIKey

ADJJLNODXLXTIH-UHFFFAOYSA-N

INCHI

1S/C10H16S/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2

Isómeros SMILES

C1C2CC3CC1CC(C2)(C3)S

WGK Alemania

3

Número ONU

UN2811

Grupo de embalaje

III

Peso molecular

168.30

Reaxy-Rn

1446215

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1446215&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thiols
• Subclass: Alkylthiols
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylthiols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Alkylthiol - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: air sensitive,Hygroscopic
• Punto de fusión (°C): 99-106°C
• Peso molecular: 168.300 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 168.097 Da
• Monoisotopic Mass: 168.097 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 144.000
• 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