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

CAS: 1569-69-3 Cat. No.: C107602 Fórmula: C₆H₁₁SH Peso molecular: 116.22 Beilstein Registry Number: 1236340 Número EC: 216-378-7

CALIDAD & PUREZA ≥98%

Synonyms

CYCLOHEXANETHIOL | Cyclohexyl thiol | Cyclohexyl mercaptan | Cyclohexylmercaptan

Storage

Argon charged,Room temperature

Shipped In

FedEx DG Service

Especificaciones

Sinónimos

CYCLOHEXANETHIOL | Cyclohexyl thiol | Cyclohexyl mercaptan | Cyclohexylmercaptan

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

FedEx DG Service

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

508814723

Sonrisas canónicas

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

Isómeros SMILES

C1CCC(CC1)S

WGK Alemania

3

RTECS

GV7525000

Número ONU

3054

Grupo de embalaje

III

Peso molecular

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
    • Clase Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, soluble in chloroform, ether, acetone and benzene
• Sensibilidad: Air sensitive.
• Índice de refracción: 1.49
• Punto de inflamación (°F): 105.8 °F
• Punto de inflamación (°C): 43°C
• Punto de ebullición (°C): 158-160 °C
• Punto de fusión (°C): 80.29°C
• Peso molecular: 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