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

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

GRAU & 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

Armazenar a 2-8°C, carregado com árgon

Shipped In

Gelo húmido

Especificações

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

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C, carregado com árgon

Enviado em

Gelo húmido

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

528754803

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

C1C2CC3CC1CC(C2)(C3)S

WGK Alemanha

3

Número UN

UN2811

Grupo de embalagem

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
    • 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 homopolycyclic compounds
• Substituents: Alkylthiol - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: air sensitive,Hygroscopic
• Ponto de fusão (°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