Diisopropyl disulfide

Base Information

• Chemical Name: Diisopropyl disulfide
• CAS No.: 4253-89-8
• Molecular Formula: C6H14S2
• Molecular Weight: 150.309
• Hs Code.: 29309090
• NSC Number: 75123
• UNII: BP550P623A
• DSSTox Substance ID: DTXSID6022216
• Nikkaji Number: J99.999G
• Wikidata: Q27274784
• Metabolomics Workbench ID: 43918
• Mol file: 4253-89-8.mol

Synonyms:Diisopropyl disulfide;Isopropyl disulfide;4253-89-8;Disulfide, bis(1-methylethyl);Diisopropyl disulphide;1,2-Diisopropyldisulfane;2,5-Dimethyl-3,4-dithiahexane;2-(propan-2-yldisulfanyl)propane;2,2'-dithiodipropane;EINECS 224-225-0;NSC 75123;UNII-BP550P623A;BP550P623A;NSC-75123;ISOPROPYLDISULFIDE;diisopropyldisulfide;diisopropyldisulphide;iso-propyl disulfide;Diisopropyl persulfide;Isopropyl disulfide, 96%;Isopropyl disulfide (8CI);bis(1-Methylethyl) disulphide;Isopropyl disulfide, >=96%;SCHEMBL224884;2-(Isopropyldisulfanyl)propane;2-propan-2-yldisulfanylpropane;(i-C3H7S)2;DTXSID6022216;FEMA NO. 3827;2-(propan-2-yldisulanyl)propane;FEMA 3827;2-(Isopropyldisulfanyl)propane #;CHEBI:173637;Isopropyl disulfide, >=96%, FG;NSC75123;Bis(1-methylethyl) disulfide, 9CI;DIISOPROPYL DISULFIDE [FHFI];MFCD00008894;AKOS015899645;Disulfide, bis(1-methylethyl) (9CI);LS-184942;D2582;FT-0624999;D78351;EN300-7535075;Q27274784

Chemical Property of Diisopropyl disulfide

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS LIQUID
• Vapor Pressure: 1.35mmHg at 25°C
• Melting Point: -69°C
• Refractive Index: n20/D 1.4906(lit.)
• Boiling Point: 178.2 °C at 760 mmHg
• Flash Point: 18.3 °C
• PSA: 50.60000
• Density: 0.962 g/cm³
• LogP: 3.18460
• Storage Temp.: Flammables area
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 150.05369279
• Heavy Atom Count: 8
• Complexity: 42.5

Purity/Quality:

99% ^*data from raw suppliers

Isopropyl disulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F
• Hazard Codes: F,Xi
• Statements: 11-36/37/38-52-50
• Safety Statements: 9-16-29-33-36-26-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)SSC(C)C

Technology Process of Diisopropyl disulfide

There total 59 articles about Diisopropyl disulfide 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: 99.0%

2-propanethiol (75-33-2) → diisopropyl sulfide (4253-89-8)

Guidance literature:

With oxygen; SiO₂-Cl; In dichloromethane; at 0 ℃; for 0.166667h;

DOI:10.1246/cl.2006.1048

Reference yield: 95.0%

S-nitroso-2-propanethiol (69165-81-7) → diisopropyl sulfide (4253-89-8)

Guidance literature:

With air; In chloroform; at 20 ℃; for 0.166667h;

DOI:10.1016/S0040-4020(02)00390-3

Reference yield: 95.0%

toluene-p-sulfonyl bromide (1950-69-2) + 2-propanethiol (75-33-2) → 4-Methylbenzolthiosulfonsaeure-S-isopropylester (53291-31-9) + diisopropyl sulfide (4253-89-8)

Guidance literature:

With triethylamine; In tetrachloromethane; at 0 ℃; for 0.75h; Yields of byproduct given;

upstream raw materials:

hexamethyl-[1,3,5]trithiane

2-iodo-propane

N,N'-dimethylthioperoxydicarbamic acid

toluene-4-sulfonic acid isopropyl ester

Downstream raw materials:

methyl i-propylsulfinate

methyl isopropyl disulphide

1,2-Bisbenzene

C₂₄H₂₆PS⁽¹⁺⁾*BF₄^(1-)

Refernces

• 1、 Baeva, L. A.,Biktasheva, L. F.,Nugumanov, R. M.,Safiullin, R. L.. "Condensation of Propan-2-one with Formaldehyde and Propane-2-thiol". . p. 567 - 571. Retrieved 2020/07/02.
• 2、 Yuki, Masahiro,Sakata, Ken,Nakajima, Kazunari,Kikuchi, Syoma,Sekine, Shinobu,Kawai, Hiroyuki,Nishibayashi, Yoshiaki. "Dicationic Thiolate-Bridged Diruthenium Complexes for Catalytic Oxidation of Molecular Dihydrogen". supporting information. p. 4499 - 4506. Retrieved 2017/12/05.