1,6-Hexanedithiol - ≥97% , CAS No.1191-43-1

CAS: 1191-43-1 Cat. No.: H106695 Formula: C₆H₁₄S₂ Molecular Weight: 150.31 Beilstein Registry Number: 1732507 EC Number: 214-735-1

GRADE & PURITY ≥97%

Synonyms

DMH | Q-100088 | 1,6-Dimercaptohexane | Q27288323 | 1,6-HEXANEDITHIOL [FHFI] | 1,6-Hexanedithiol, 99.5% | FEMA No. 3495 | NDR-139 | AKOS015897443 | FEMA 3495 | 1,6-Hexanedimercaptan | 1,6-Hexanedithiol, 96% | 1,6-Hexanedithiol, >=97%, FG | 1,6-HEXANEDITHI

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

Product Application： HDT can be used to functionalize molybdenum disulphide (MoS2), which can be used as a two dimensional transition metal dichalcogenide (TMD) in electronics and optoelectronic devices. It forms a SAM on gallium arsenic (GaAs) doped cadmium sulfide (CdS) quantum dots (QDs), which can be used for biosensors and solar applications. It can also be used to immobilize gold nanoparticles (AuNPs) for potential usage in biomedical and bioanalytical applications.

Specifications

Synonyms

DMH | Q-100088 | 1,6-Dimercaptohexane | Q27288323 | 1,6-HEXANEDITHIOL [FHFI] | 1,6-Hexanedithiol, 99.5% | FEMA No. 3495 | NDR-139 | AKOS015897443 | FEMA 3495 | 1,6-Hexanedimercaptan | 1,6-Hexanedithiol, 96% | 1,6-Hexanedithiol, >=97%, FG | 1,6-HEXANEDITHI

Specifications & Purity

≥97%

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504752559
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752559
• Canonical Smiles: C(CCCS)CCS
• IUPAC Name: hexane-1,6-dithiol
• InChIKey: SRZXCOWFGPICGA-UHFFFAOYSA-N
• INCHI: 1S/C6H14S2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
• Isomeric SMILES: C(CCCS)CCS
• WGK Germany: 3
• RTECS: MO3500000
• Molecular Weight: 150.31
• Beilstein: 1732507
• Reaxy-Rn: 1732507
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732507&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: Not miscible in water.
• Sensitivity: air sensitive
• x_refractive_index: 1.511-1.515
• x_flash_point_drop_fahrenheit: 194°F
• x_flash_point_drop_centigrade: 90℃
• x_boil_point_char: 118-119 °C/15 mmHg (lit.)
• x_melt_point_char: -21°C
• Molecular Weight: 150.300 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 150.054 Da
• Monoisotopic Mass: 150.054 Da
• Topological Polar Surface Area: 2.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 31.500
• 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