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

CAS: 1679-07-8 Cat. No.: C106982 Summenformel: C₅H₁₀S Molekulargewicht: 102.2 EG-Nummer: 216-841-3

QUALITÄT & REINHEIT ≥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

Übersicht

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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

508814751

Kanonisches Lächeln

C1CCC(C1)S

IUPAC Name

cyclopentanethiol

InChIKey

WVDYBOADDMMFIY-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

C1CCC(C1)S

WGK Deutschland

3

RTECS

GY4701000

UN-Nummer

3336

Molekulargewicht

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
    • Klasse Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water; soluble in alcohol and oils.
• Empfindlichkeit: air sensitive
• Brechungsindex: 1.4902
• Flammpunkt (°F): 77 °F
• Flammpunkt (°C): 25℃
• Siedepunkt (°C): 131-132°C
• Molekulargewicht: 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