Cyclopentanethiol - ≥97% , CAS No.1679-07-8

CAS: 1679-07-8 Cat. No.: C106982 Formule: C₅H₁₀S Poids moléculaire: 102.2 Numéro CE: 216-841-3

QUALITÉ & PURETÉ ≥97%

Synonyms

CYCLOPENTANETHIOL [FHFI]|cyclopentylmercaptan|Cyclopentylthiol|cyclopentane thiol|Cyclopentyl mercaptan|cyclopentyl thiol|starbld0016574|Mercaptocyclopentane|(3-AMINO-4-BROMO-PHENYL)-CARBAMICACIDTERT-BUTYLESTER|CYCLOPENTANETHIOL|cyclopen-tanethiol

Storage

Argon charged,Room temperature

Shipped In

Normal

Vue d’ensemble

Cyclopentanethiol has used as a food spice. It is a pharmaceutical intermediate.

Spécifications

Synonymes

CYCLOPENTANETHIOL [FHFI] | cyclopentylmercaptan | Cyclopentylthiol | cyclopentane thiol | Cyclopentyl mercaptan | cyclopentyl thiol | starbld0016574 | Mercaptocyclopentane | (3-AMINO-4-BROMO-PHENYL)-CARBAMICACIDTERT-BUTYLESTER | CYCLOPENTANETHIOL | cyclopen-tanethiol

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

508814751

Sourires canoniques

C1CCC(C1)S

IUPAC Name

cyclopentanethiol

InChIKey

WVDYBOADDMMFIY-UHFFFAOYSA-N

INCHI

1S/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H2

Isomères SMILES

C1CCC(C1)S

WGK Allemagne

3

RTECS

GY4701000

Numéro ONU

3336

Poids moléculaire

102.2

Reaxy-Rn

2343861

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2343861&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: Slightly soluble in water; soluble in alcohol and oils.
• Sensibilité: air sensitive
• Indice de réfraction: 1.4902
• Point d'éclair (°F): 77 °F
• Point d'éclair (°C): 25℃
• Point d'ébullition (°C): 131-132°C
• Poids moléculaire: 102.200 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 102.05 Da
• Monoisotopic Mass: 102.05 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 37.200
• 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