Cyclohexanethiol - ≥98% , CAS No.1569-69-3

CAS: 1569-69-3 Cat. No.: C107602 分子式: C₆H₁₁SH 分子量: 116.22 Beilstein Registry Number: 1236340 EC番号: 216-378-7

グレード＆純度 ≥98%

Synonyms

CYCLOHEXANETHIOL | Cyclohexyl thiol | Cyclohexyl mercaptan | Cyclohexylmercaptan

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

仕様

同義語

CYCLOHEXANETHIOL | Cyclohexyl thiol | Cyclohexyl mercaptan | Cyclohexylmercaptan

仕様と純度

≥98%

保管条件

Room temperature,Argon charged

入荷

FedEx DG Service

純度

≥98%

名前と識別子

パブケム・シド

508814723

カノニカル・スマイル

C1CCC(CC1)S

IUPAC Name

cyclohexanethiol

InChIKey

CMKBCTPCXZNQKX-UHFFFAOYSA-N

INCHI

1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2

異性体SMILES

C1CCC(CC1)S

WGKドイツ

3

RTECS

GV7525000

UN番号

3054

包装グループ

III

分子量

116.22

Beilstein

1236340

Reaxy-Rn

1236342

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1236342&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 homomonocyclic compounds
• Substituents: Alkylthiol - Hydrocarbon derivative - Aliphatic homomonocyclic 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

• 溶解度: Insoluble in water, soluble in chloroform, ether, acetone and benzene
• 感度: Air sensitive.
• 屈折率: 1.49
• 引火点（°F）: 105.8 °F
• 引火点（°C）: 43°C
• 沸点（°C）: 158-160 °C
• 融点（°C）: 80.29°C
• 分子量: 116.230 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 116.066 Da
• Monoisotopic Mass: 116.066 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.100
• 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