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

CAS: 1679-07-8 Cat. No.: C106982 Fórmula: C₅H₁₀S Peso molecular: 102.2 Número CE: 216-841-3

GRAU & PUREZA ≥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

Visão geral

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

Especificações

Sinónimos

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

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

508814751

Sorrisos canónicos

C1CCC(C1)S

IUPAC Name

cyclopentanethiol

InChIKey

WVDYBOADDMMFIY-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

C1CCC(C1)S

WGK Alemanha

3

RTECS

GY4701000

Número UN

3336

Peso molecular

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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water; soluble in alcohol and oils.
• Sensibilidade: air sensitive
• Índice de refração: 1.4902
• Ponto de inflamação (°F): 77 °F
• Ponto de inflamação (°C): 25℃
• Ponto de ebulição (°C): 131-132°C
• Peso molecular: 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