1-Dodecanethiol（NDM） - ≥98% , CAS No.112-55-0

CAS: 112-55-0 Cat. No.: D105610 Formula: C₁₂H₂6S Molecular Weight: 202.39 Beilstein Registry Number: 969337 EC Number: 203-984-1

GRADE & PURITY ≥98%

Synonyms

NDM | LS-14165 | CAS-112-55-0 | Pennfloat S | Tox21_303101 | 1-Dodecyl mercaptan | Tox21_201758 | NCGC00259307-01 | AI3-07577 | DTXCID505220 | STL483072 | 1-dodecane thiol | BRN 0969337 | 1-DODECANETHIOL | M-Dodecyl mercaptan | Dodecylmercaptan | J-504580

Storage

Room temperature,Argon charged

Shipped In

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Overview

1-Dodecanethiol (DDT) is an alkyl thiol that forms a self-assembled monolayer (SAM) and can be used as an organic source of sulfur with balanced physio-chemical properties. DDT can be used as a source of sulfur for the synthesis CdS quantum dots (QDs) and lead sulfide nanoparticles (PbS) which find potential applications in energy efficient lighting, solar cells and as ammonium gas sensing agents.[ It may be used to form a self-assembled monolayer (SAM) on copper surface as a corrosion resistant coating. Functionalization with DDT may form SAMs on geranium (Ge) to improve the surface characteristics for futuristic applications in microelectronics. This molecule is used for the production of hydrophobic SAMs. It can also be used in mixed SAMs to give a hydrophobic background and act as a spacer to move other functional groups or domains farther apart.

Specifications

Synonyms

NDM | LS-14165 | CAS-112-55-0 | Pennfloat S | Tox21_303101 | 1-Dodecyl mercaptan | Tox21_201758 | NCGC00259307-01 | AI3-07577 | DTXCID505220 | STL483072 | 1-dodecane thiol | BRN 0969337 | 1-DODECANETHIOL | M-Dodecyl mercaptan | Dodecylmercaptan | J-504580

Specifications & Purity

≥98%

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751624
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751624
• Canonical Smiles: CCCCCCCCCCCCS
• IUPAC Name: dodecane-1-thiol
• InChIKey: WNAHIZMDSQCWRP-UHFFFAOYSA-N
• INCHI: 1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
• Isomeric SMILES: CCCCCCCCCCCCS
• WGK Germany: 3
• RTECS: JR3155000
• UN Number: 1760
• Packing Group: III
• Molecular Weight: 202.39
• Beilstein: 969337
• Reaxy-Rn: 969337
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969337&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: Insoluble in water, soluble in methanol, ether, acetone, benzene and ethyl acetate.
• Sensitivity: Air Sensitive
• x_refractive_index: 1.46
• x_flash_point_drop_centigrade: 87°C
• x_boil_point_char: 266-283℃
• x_melt_point_char: -7℃
• Molecular Weight: 202.400 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 202.176 Da
• Monoisotopic Mass: 202.176 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 81.200
• 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