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

CAS: 34301-54-7 Cat. No.: A169723 Formula: C₁₀H₁₆S Peso molecolare: 168.30 Numero EC: 628-498-0

GRADE & PURITY ≥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

Specifications

Sinonimi

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

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

528754803

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

C1C2CC3CC1CC(C2)(C3)S

WGK Germania

3

Numero UN

UN2811

Gruppo di imballaggio

III

Peso molecolare

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: air sensitive,Hygroscopic
• Punto di fusione (°C): 99-106°C
• Peso molecolare: 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