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

CAS: 34301-54-7 Cat. No.: A169723 分子式: C₁₀H₁₆S 分子量: 168.30 EC番号: 628-498-0

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥95%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

パブケム・シド

528754803

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

C1C2CC3CC1CC(C2)(C3)S

WGKドイツ

3

UN番号

UN2811

包装グループ

III

分子量

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
    • 分類 Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: air sensitive,Hygroscopic
• 融点（°C）: 99-106°C
• 分子量: 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