1-Hexadecanethiol - ≥97%(GC) , CAS No.2917-26-2

CAS: 2917-26-2 Cat. No.: H140650 Formula: C₁₆H₃₄S Molecular Weight: 258.51 Beilstein Registry Number: 1748495 EC Number: 220-846-6

GRADE & PURITY ≥97%(GC)

Synonyms

1-Mercaptohexadecane | EINECS 220-846-6 | hexadecane-1-thiol | ?Hexadecanethiol | n-Hexadecyl mercaptan | Cetylmercaptan | Hexadecanethiol | QR98QIO1QL | MFCD00011677 | n-hexadecylthiol | BP-20993 | FT-0607882 | AKOS015897657 | 1-Hexadecanethiol, >=95.0%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

1-Hexadecanethiol is used to prepare thiol-functionalized 1.5 nm gold nanoparticles via a ligand exchange process with triphenylphosphine-stabilized nanoparticles. Used in the formation of hydrophobic self-assembled monolayers (SAMs). Due to the length of the alkane chain, the resulting monolayer is highly ordered.
Used in the study of nanoparticles and self-assembled monolayers.

Specifications

Synonyms

1-Mercaptohexadecane | EINECS 220-846-6 | hexadecane-1-thiol | ?Hexadecanethiol | n-Hexadecyl mercaptan | Cetylmercaptan | Hexadecanethiol | QR98QIO1QL | MFCD00011677 | n-hexadecylthiol | BP-20993 | FT-0607882 | AKOS015897657 | 1-Hexadecanethiol, >=95.0%

Specifications & Purity

≥97%(GC)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(GC)

Product Line

H140650-1ml

Names and Identifiers

Pubchem Sid

504752857

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752857

Canonical Smiles

CCCCCCCCCCCCCCCCS

IUPAC Name

hexadecane-1-thiol

InChIKey

ORTRWBYBJVGVQC-UHFFFAOYSA-N

INCHI

1S/C16H34S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3

Isomeric SMILES

CCCCCCCCCCCCCCCCS

WGK Germany

3

UN Number

3334(international aviation)

Molecular Weight

258.51

Beilstein

1748495

Reaxy-Rn

1748495

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1748495&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: 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
• 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

Chemical and Physical Properties

• Solubility: Soluble in methanol, benzene, ether, acetone and ethyl acetate. Not miscible or difficult to mix in water.
• Sensitivity: Air Sensitive.
• Refractive Index: 1.462
• Flash Point(°F): 215.6 °F
• Flash Point(°C): 102 °C
• Boil Point(°C): 189 °C/10 mmHg
• Melt Point(°C): 18-20℃
• Molecular Weight: 258.500 g/mol
• XLogP3: 8.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 258.238 Da
• Monoisotopic Mass: 258.238 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 123.000
• 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