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

CAS: 1569-69-3 Cat. No.: C107602 Formule: C₆H₁₁SH Poids moléculaire: 116.22 Beilstein Registry Number: 1236340 Numéro CE: 216-378-7

QUALITÉ & PURETÉ ≥98%

Synonyms

CYCLOHEXANETHIOL | Cyclohexyl thiol | Cyclohexyl mercaptan | Cyclohexylmercaptan

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Spécifications

Synonymes

CYCLOHEXANETHIOL | Cyclohexyl thiol | Cyclohexyl mercaptan | Cyclohexylmercaptan

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

FedEx DG Service

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508814723

Sourires canoniques

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

Isomères SMILES

C1CCC(CC1)S

WGK Allemagne

3

RTECS

GV7525000

Numéro ONU

3054

Groupe d'emballage

III

Poids moléculaire

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
    • 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 homomonocyclic compounds
• Substituents: Alkylthiol - Hydrocarbon derivative - Aliphatic homomonocyclic 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

• Solubilité: Insoluble in water, soluble in chloroform, ether, acetone and benzene
• Sensibilité: Air sensitive.
• Indice de réfraction: 1.49
• Point d'éclair (°F): 105.8 °F
• Point d'éclair (°C): 43°C
• Point d'ébullition (°C): 158-160 °C
• Point de fusion (°C): 80.29°C
• Poids moléculaire: 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