1-Tetradecanethiol - ≥97%(GC) , CAS No.2079-95-0

CAS: 2079-95-0 Cat. No.: T162499 Molecular Weight: 230.45 Beilstein Registry Number: 1(4)1867 EC Number: 218-209-2 PubChem CID: 64677

GRADE & PURITY ≥97%(GC)

Synonyms

1-Tetradecanethiol | 1-Tetradecanethiol, >=98.0% (GC) | DTXSID7062166 | FT-0653688 | 1-Mercaptotetradecane | A814925 | AI3-15913 | Tetradecyl mercaptan | D92299 | MFCD00022099 | NSC 57865 | SCHEMBL51303 | Tetradecanethiol-(1) | NSC57865 | NSC-57865 | n-Te

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

It is an alkyl thiol used in the study of self-assembling monolayers (SAMs).

Specifications

Synonyms

1-Tetradecanethiol | 1-Tetradecanethiol, >=98.0% (GC) | DTXSID7062166 | FT-0653688 | 1-Mercaptotetradecane | A814925 | AI3-15913 | Tetradecyl mercaptan | D92299 | MFCD00022099 | NSC 57865 | SCHEMBL51303 | Tetradecanethiol-(1) | NSC57865 | NSC-57865 | n-Te

Specifications & Purity

≥97%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCS
• IUPAC Name: tetradecane-1-thiol
• InChIKey: GEKDEMKPCKTKEC-UHFFFAOYSA-N
• INCHI: 1S/C14H30S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3
• Isomeric SMILES: CCCCCCCCCCCCCCS
• PubChem CID: 64677
• Molecular Weight: 230.45
• Beilstein: 1(4)1867
• Reaxy-Rn: 1742653

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

• Sensitivity: air sensitive
• Refractive Index: 1.46
• Boil Point(°C): 310 °C
• Melt Point(°C): 7 °C
• Molecular Weight: 230.460 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 230.207 Da
• Monoisotopic Mass: 230.207 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 102.000
• 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

References

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2. Lingxiao Ma, Xiuzhong Zhu, Wanbin Zhang, Haitao Zhang, Jianyong Wang, Jianbo Qu.  (2021)  Study on the preparation and performance comparison of side-chain hydroxyl-terminated polybutadiene derivatives with narrowly molecular weight distribution used for polyurethane.  POLYMER TESTING,      [PMID:] [10.1016/j.polymertesting.2021.107389]

3. Nan Yu, Yingqiu Zhu, Tingting Wang, Ruihan Lin, Longhua Li, Guowei Yang, Xianglong Liu, Jianghua Li, Junli Wang.  (2024)  Long-Chain Molecular Crystals Antimony(III) Alkanethiolates Sb(SCnH2n+1)3 (n ≥ 12): Synthesis, Crystal and Electronic Structures, and Supramolecular Self-Assembly via Secondary Interactions.  INORGANIC CHEMISTRY,      [PMID:39230943] [10.1021/acs.inorgchem.4c02454]

4. Cheng Chuanqi, Wang Jiajun, Chen Fanpeng, Han Yanran, He Yichen, Zhang Bin, Zhao Bo-Hang.  (2025)  Selective electrosynthesis of 1,3-butadiene by tailoring the coverage of acetylene and water.  Nature Communications,  16  (1): (1-11).  [PMID:40592893] [10.1038/s41467-025-60881-4]