Diisopropyl trisulfide

Base Information

• Chemical Name: Diisopropyl trisulfide
• CAS No.: 5943-34-0
• Molecular Formula: C6H14S3
• Molecular Weight: 182.375
• European Community (EC) Number: 227-703-7
• UNII: 4FQ8084070
• DSSTox Substance ID: DTXSID50208155
• Nikkaji Number: J223.901I
• Wikidata: Q27259535
• Mol file: 5943-34-0.mol

Synonyms:Diisopropyl trisulfide;5943-34-0;Diisopropyl trisulphide;2-(propan-2-yltrisulfanyl)propane;UNII-4FQ8084070;EINECS 227-703-7;2,6-dimethyl-3,4,5-trithiaheptane;4FQ8084070;DIISOPROPYLTRISULFIDE;Diisopropyl pertrisulfide;1,3-diisopropyltrisulfane;ISOPROPYL TRISULFIDE;bis(propan-2-yl)trisulfane;SCHEMBL3503167;FEMA NO. 3968;DTXSID50208155;DIISOPROPYL TRISULFIDE [FHFI];MFCD00040042;2-propan-2-ylsulfanyldisulfanylpropane;AKOS006272054;AS-57765;D4300;FT-0625006;D90271;W-105323;Q27259535

Chemical Property of Diisopropyl trisulfide

Chemical Property:

• Vapor Pressure: 0.0495mmHg at 25°C
• Refractive Index: 1.544
• Boiling Point: 243.6 °C at 760 mmHg
• Flash Point: 96 °C
• PSA: 75.90000
• Density: 1.071 g/cm³
• LogP: 3.83280
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 182.02576397
• Heavy Atom Count: 9
• Complexity: 53.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

Diisopropyl Trisulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)SSSC(C)C

Technology Process of Diisopropyl trisulfide

There total 15 articles about Diisopropyl trisulfide 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: 87.0%

isopropyl bromide (75-26-3) → 1,3-diisopropyl trisulfide (5943-34-0)

Guidance literature:

With potassium 5-methyl-1,3,4-oxadiazole-2-thiolate; In water; at 25 ℃; for 0.5h;

DOI:10.1080/17415993.2016.1253696

Reference yield: 82.0%

isopropyl bromide (75-26-3) → diisopropyl sulfide (4253-89-8) + 1,3-diisopropyl trisulfide (5943-34-0)

Guidance literature:

With sulfur; potassium hydroxide; In water; at 60 ℃; for 0.5h; Green chemistry;

DOI:10.1080/10426507.2017.1370592

Reference yield: 33.1%

2-propanethiol (75-33-2) → diisopropyl sulfide (4253-89-8) + 1,3-diisopropyl trisulfide (5943-34-0) + di-iso-propyl tetrasulfide (60089-53-4)

Guidance literature:

With boron trifluoride diethyl etherate; sulfur dioxide; In dichloromethane; at 25 ℃; for 24h;

DOI:10.1246/bcsj.56.2657

upstream raw materials:

2-propanethiol

dithiosulfurous acid S,S'-diisopropyl ester

(disulfido)carbonic acid SS-isopropyl ester O-methyl ester

1-(Trimethylsilyl)imidazole

Refernces

• 1、 Soleiman-Beigi, Mohammad,Yavari, Issa,Sadeghizadeh, Fatemeh. "A rapid, efficient and green procedure for transformation of alkyl halides/ tosylates to organochalcogens in water". supporting information. p. 41 - 44. Retrieved 2017/09/25.
• 2、 Banfield, Scott C.,Omori, Alvaro Takeo,Leisch, Hannes,Hudlicky, Tomas. "Unexpected reactivity of the Burgess reagent with thiols: Synthesis of symmetrical disulfides". . p. 4989 - 4992. Retrieved 2008/02/05.