1-Esanethiolo - ≥94% , CAS No.111-31-9

CAS: 111-31-9 Cat. No.: H299109 Formula: C₆H₁₄S Peso molecolare: 118.24 Beilstein Registry Number: 1731295 Numero EC: 203-857-0

QUALITÀ & PUREZZA ≥94%

Synonyms

DTXSID0051574 | DTXCID4030126 | FS-4087 | Mercaptano C6 | n-esiltiolo | EINECS 203-857-0 | NSC99106 | AKOS015897424 | USAF EK-4628 | FT-0652492 | Esano-1-tiolo | SCHEMBL22331 | EN300-267737 | CAS-111-31-9 | A802340 | J-504659 | 1-esilmercaptano | Esiltano

Storage

Temperatura ambiente, carica di argon

Shipped In

Normale

Specifiche

Sinonimi

DTXSID0051574 | DTXCID4030126 | FS-4087 | Mercaptano C6 | n-esiltiolo | EINECS 203-857-0 | NSC99106 | AKOS015897424 | USAF EK-4628 | FT-0652492 | Esano-1-tiolo | SCHEMBL22331 | EN300-267737 | CAS-111-31-9 | A802340 | J-504659 | 1-esilmercaptano | Esiltano

Specifiche e purezza

≥94%

Condizioni di conservazione di stoccaggio

Temperatura ambiente, carica di argon

Spedito in

Normale

Purezza

≥94%

Nomi e identificatori

Pubchem Sid

504751580

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751580

Sorrisi canonici

CCCCCCS

IUPAC Name

hexane-1-thiol

InChIKey

PMBXCGGQNSVESQ-UHFFFAOYSA-N

INCHI

1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

Isomeri SMILES

CCCCCCS

WGK Germania

3

RTECS

MO4550000

Numero UN

1228

Gruppo di imballaggio

II

Peso molecolare

118.24

Beilstein

1731295

Reaxy-Rn

1731295

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731295&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 acyclic compounds
• Substituents: Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Difficult to mix in water.
• Sensibilità: Air sensitive.
• Indice di rifrazione: 1.447-1.451
• Punto di infiammabilità (°C): 30℃
• Punto di ebollizione (°C): 150-154°C
• Punto di fusione (°C): -81--80°C
• Peso molecolare: 118.240 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 118.082 Da
• Monoisotopic Mass: 118.082 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 27.400
• 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