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

CAS: 34301-54-7 Cat. No.: A169723 Formule: C₁₀H₁₆S Poids moléculaire: 168.30 Numéro CE: 628-498-0

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

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%

Noms et identifiants

Pubchem Sid

528754803

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C1C2CC3CC1CC(C2)(C3)S

WGK Allemagne

3

Numéro ONU

UN2811

Groupe d'emballage

III

Poids moléculaire

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
• 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,Hygroscopic
• Point de fusion (°C): 99-106°C
• Poids moléculaire: 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