1-Tridecanethiol

Base Information

• Chemical Name: 1-Tridecanethiol
• CAS No.: 19484-26-5
• Molecular Formula: C13H28 S
• Molecular Weight: 216.431
• Hs Code.: 2930909090
• European Community (EC) Number: 243-104-3
• NSC Number: 851
• UNII: YW32XX0340
• DSSTox Substance ID: DTXSID8066501
• Nikkaji Number: J97.158H
• Wikidata: Q27294742
• Mol file: 19484-26-5.mol

Synonyms:1-TRIDECANETHIOL;tridecane-1-thiol;19484-26-5;Tridecyl mercaptan;Tridecanethiol;UNII-YW32XX0340;NSC 851;NSC-851;YW32XX0340;EINECS 243-104-3;NSC851;TRIDECYL THIOL;1-TRIDECANTHIOL;1-MERCAPTOTRIDECANE;SCHEMBL132802;DTXSID8066501;FT-0700108;Q27294742

Chemical Property of 1-Tridecanethiol

Chemical Property:

• Vapor Pressure: 0.00337mmHg at 25°C
• Melting Point: 8.89°C
• Refractive Index: 1.4586
• Boiling Point: 291.6°Cat760mmHg
• Flash Point: 112.4°C
• PSA: 38.80000
• Density: 0.841g/cm³
• LogP: 5.22720
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 216.19117207
• Heavy Atom Count: 14
• Complexity: 91.2

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCS

Technology Process of 1-Tridecanethiol

There total 4 articles about 1-Tridecanethiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 72.0%

S-tridecyl ethanethioate → tridecane-1-thiol (19484-26-5)

Guidance literature:

With hydrogenchloride; In methanol; water; at 60 ℃;

DOI:10.1021/jacs.0c00907

Reference yield: 62.0%

1-bromotridecane (765-09-3) → tridecane-1-thiol (19484-26-5)

Guidance literature:

1-bromotridecane; With thiourea; In ethanol; for 12h; Reflux; Inert atmosphere;

With sodium hydroxide; In water; for 1h; Reflux; Inert atmosphere;

DOI:10.1002/cmdc.201402371

Reference yield: 41.2%

BrH*C14H30N2S → tridecane-1-thiol (19484-26-5)

Guidance literature:

With potassium hydroxide; In water; at 100 ℃; for 0.5h;

DOI:10.1021/jacs.0c04288

upstream raw materials:

1-bromotridecane

thiourea

Downstream raw materials:

n-Tridecylthiopalmitat

n-Tridecylthiomyristat

Refernces

• 1、 Smith. "-". . p. 2064. Retrieved 1946.
• 2、 Ben Amara, Fadwa,Dionne, Eric R.,Kassir, Sahar,Pellerin, Christian,Badia, Antonella. "Molecular Origin of the Odd-Even Effect of Macroscopic Properties of n-Alkanethiolate Self-Assembled Monolayers: Bulk or Interface?". . p. 13051 - 13061. Retrieved 2020/09/01.