6-Mercapto-1-hexanol - ≥95% , CAS No.1633-78-9

CAS: 1633-78-9 Cat. No.: M299208 Fórmula: C₆H₁₄OS Peso molecular: 134.24 Beilstein Registry Number: 1846871 Número CE: 629-484-7

GRADE & PURITY ≥95%

Synonyms

6-Mercapto-1-hexanol|1633-78-9|6-MERCAPTOHEXAN-1-OL|1-Hexanol, 6-mercapto-|6-sulfanylhexan-1-ol|6-Mercaptohexanol|MFCD00068552|6-Mercapto-1-hexanole|6-mercapto-hexan-1-ol|6-Sulfanyl-1-hexanol #|SCHEMBL36563|6-Mercapto-1-hexanol, 97%|6-Mercapto-1-hexanol,

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

6-Mercapto-1-hexanol | 1633-78-9 | 6-MERCAPTOHEXAN-1-OL | 1-Hexanol, 6-mercapto- | 6-sulfanylhexan-1-ol | 6-Mercaptohexanol | MFCD00068552 | 6-Mercapto-1-hexanole | 6-mercapto-hexan-1-ol | 6-Sulfanyl-1-hexanol # | SCHEMBL36563 | 6-Mercapto-1-hexanol, 97% | 6-Mercapto-1-hexanol,

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

504759259

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759259

Sorrisos canónicos

C(CCCS)CCO

IUPAC Name

6-sulfanylhexan-1-ol

InChIKey

UGZAJZLUKVKCBM-UHFFFAOYSA-N

INCHI

1S/C6H14OS/c7-5-3-1-2-4-6-8/h7-8H,1-6H2

SMILES isoméricas

C(CCCS)CCO

WGK Alemanha

3

Peso molecular

134.24

Beilstein

1846871

Reaxy-Rn

1846871

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1846871&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: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkylthiol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic 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

• Sensibilidade: Air sensitive
• Índice de refração: 1.486
• Ponto de inflamação (°F): >230 °F
• Ponto de inflamação (°C): >110 °C
• Ponto de ebulição (°C): 225°C
• Peso molecular: 134.240 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 134.077 Da
• Monoisotopic Mass: 134.077 Da
• Topological Polar Surface Area: 21.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 39.500
• 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