Propane-1,2,3-trithiol

Base Information

• Chemical Name: Propane-1,2,3-trithiol
• CAS No.: 4756-13-2
• Molecular Formula: C3H8 S3
• Molecular Weight: 140.295
• European Community (EC) Number: 225-288-7
• DSSTox Substance ID: DTXSID70197198
• Nikkaji Number: J50.938H
• Wikidata: Q83070146
• Mol file: 4756-13-2.mol

Synonyms:1,2,3-trimercaptopropane

Chemical Property of Propane-1,2,3-trithiol

Chemical Property:

• Vapor Pressure: 0.0352mmHg at 25°C
• Boiling Point: 250°Cat760mmHg
• Flash Point: 111.7°C
• PSA: 116.40000
• Density: 1.163g/cm³
• LogP: 1.14440
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 139.97881378
• Heavy Atom Count: 6
• Complexity: 25.2

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CS)S)S

Technology Process of Propane-1,2,3-trithiol

There total 11 articles about Propane-1,2,3-trithiol 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: 98.6%

Benzeneselenol (645-96-5) + Polymer; Monomer(s): 1,2,3-trichloropropane; sodium disulfide → 1,2,3-propanetrithiol (4756-13-2) + diphenyl diselenide (1666-13-3)

Guidance literature:

at 60 - 70 ℃; for 0.5h;

Reference yield: 59.0%

polymer; monomer(s): 1,2,3-trichloropropane → 1,2,3-propanetrithiol (4756-13-2)

Guidance literature:

With sodium hydroxide; hydrazine hydrate; at 80 - 90 ℃; for 1h;

DOI:10.1023/A:1013954711044

Reference yield: 30.0%

polymer, product of thiylation with 0.19 g/mol of sulfur, where content of sulfur moieties 6.0 in repeating units; monomer(s): 1,2,3-trichloropropane, charged content 0.06 g/mol → 1,2,3-propanetrithiol (4756-13-2)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; at 80 - 85 ℃; for 2h;

DOI:10.1007/s11176-005-0197-y

upstream raw materials:

1,2,3-trichloropropane

1,2,3-tribromopropane

1,2,3-tris-acetylsulfanyl-propane

methanol

Downstream raw materials:

thiiranemethanethiol

hydrogen sulfide

(propane-1,2,3-trithiolato)tetrakis[(triphenylphosphine)gold(I)] tetrafluoroborate

Refernces

• 1、 Dix,J.S.,Bresson,C.R.. "-". . p. 282 - 285. Retrieved 1967.
• 2、 -. "Preparation method 1, 2, 3-mercaptopropane (by machine translation)". Paragraph 0029-0082. . Retrieved 2020/05/14.