1,5-Pentanedithiol

Base Information

• Chemical Name: 1,5-Pentanedithiol
• CAS No.: 928-98-3
• Molecular Formula: C5H12S2
• Molecular Weight: 136.282
• Hs Code.: 29309070
• European Community (EC) Number: 213-194-9
• NSC Number: 51699
• UNII: R8RC3Q7T1W
• DSSTox Substance ID: DTXSID40239150
• Nikkaji Number: J43.567H
• Wikidata: Q21099232
• Mol file: 928-98-3.mol

Synonyms:1,5-Pentanedithiol;928-98-3;Pentane-1,5-dithiol;1,5-Dimercaptopentane;UNII-R8RC3Q7T1W;R8RC3Q7T1W;EINECS 213-194-9;NSC-51699;Pentamethylene dimercaptan;NSC51699;1,5-DITHIOLPENTANE;SCHEMBL63170;1,5-Pentanedithiol, 96%;DTXSID40239150;MFCD00004908;NSC 51699;AKOS015856602;AS-57002;FT-0606983;P1518;D92137;EN300-6928501;Q21099232

Chemical Property of 1,5-Pentanedithiol

Chemical Property:

• Appearance/Colour: colourless liquid with a very unpleasant smell
• Vapor Pressure: 0.107mmHg at 25°C
• Melting Point: -72 °C(lit.)
• Refractive Index: n20/D 1.519(lit.)
• Boiling Point: 229.1 °C at 760 mmHg
• PKA: 10.14±0.10(Predicted)
• Flash Point: 95 °C
• PSA: 77.60000
• Density: 0.979 g/cm³
• LogP: 2.01630
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform, Methanol (Slightly)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 136.03804273
• Heavy Atom Count: 7
• Complexity: 25.3

Purity/Quality:

98% ^*data from raw suppliers

1,5-Pentanedithiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22-20/22
• Safety Statements: 36/37/39-26-36-9

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCS)CCS
• Uses: 1,5-Pentanedithiol was used as a cross-linker in the preparation of colloidal Au/Ag multilayer films. It was also used as derivatization reagent in determination of organoarsenic compounds in fish by GC-MS analysis.

Technology Process of 1,5-Pentanedithiol

There total 10 articles about 1,5-Pentanedithiol 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: 92.0%

2,2'-(pentane-1,5-diyldi(sulfanediyl))bis[3-(2-aminophenyl)-4-methyl-1,3-thiazol-3-ium] diiodide → 3-methyl-thiazolo[3,2-a]benzimidazolium iodide + pentane-1,5-dithiol (928-98-3)

Guidance literature:

With methanol; for 12h; Reflux;

DOI:10.3390/molecules14114634

Reference yield: 47.0%

poly(pentamethylenedisulfide) → pentane-1,5-dithiol (928-98-3)

Guidance literature:

With sodium hydroxide; hydrazine hydrate; In water; at 75 ℃; for 2h;

Reference yield:

1,2-dithiepane (6008-51-1) + triphenylphosphine (603-35-0) → pentane-1,5-dithiol (928-98-3) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

With water; In ethanol; at 26 ℃; Rate constant; Kinetics; Thermodynamic data; different temperatures, ΔH(excit.), ΔS(excit.);

upstream raw materials:

1,5-dibromo-pentane

1,5-dichloropentane

thiourea

1,2-dithiepane

Downstream raw materials:

2,8-dithianonane

C₄₃H₄₄N₄O₄S₂

(CH₃)3Sn(CH₂)3S(CH₂)4CH₃

1,5-bis(3-trimethylstannylpropylthio)pentane

Refernces

• 1、 Mehdid, Mohammed Amine,Djafri, Ayada,Roussel, Christian,Andreoli, Federico. "3-(2-aminophenyl)-4-methyl-1,3-thiazole-2(3H)-thione as an ecofriendly sulphur transfer agent to prepare alkanethiols in high yield and high purity". experimental part. p. 4634 - 4643. Retrieved 2010/04/06.
• 2、 Salim, A.,Tillett, J. G.. "THE REDUCTION OF CYCLIC DISULPHIDES WITH TRIARYLPHOSPHINES IN AQUEOUS ORGANIC SOLVENTS". . p. 215 - 222. Retrieved 2007/10/02.