5-tert-Butyl-3H-1,2-dithiole-3-thione

Base Information

Chemical Name:5-tert-Butyl-3H-1,2-dithiole-3-thione
CAS No.:29507-64-0
Molecular Formula:C₇H₁₀S₃
Molecular Weight:190.354
Hs Code.:
UNII:F66ADU8P7C
DSSTox Substance ID:DTXSID9044037
Nikkaji Number:J579.733K
Wikidata:Q27894685
ChEMBL ID:CHEMBL179487
Mol file:29507-64-0.mol

Synonyms:5-tBu-DT;5-tert-butyl-3H-1,2-dithiole-3-thione

Suppliers and Price of 5-tert-Butyl-3H-1,2-dithiole-3-thione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 5-tert-Butyl-3H-1,2-dithiole-3-thione

Chemical Property:

Vapor Pressure:0.0128mmHg at 25°C
Boiling Point:268.3°C at 760 mmHg
Flash Point:116°C
Density:1.24g/cm³
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:189.99446384
Heavy Atom Count:10
Complexity:186

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC(=S)SS1

Technology Process of 5-tert-Butyl-3H-1,2-dithiole-3-thione

There total 10 articles about 5-tert-Butyl-3H-1,2-dithiole-3-thione 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: 91.0%

: 75-15-0,12122-00-8
carbon disulfide

: 75-97-8
3,3-dimethyl-butan-2-one

: 29507-64-0
5-t-butyl-3H-1,2-dithiole-3-thione

Guidance literature:: 3,3-dimethyl-butan-2-one; With potassium hydride; In tetrahydrofuran; for 0.25h;

carbon disulfide; With hexamethyldisilathiane; In tetrahydrofuran; for 0.333333h;

With hexachloroethane; In tetrahydrofuran; at 0 ℃; for 0.5h;
DOI:10.1016/S0040-4039(00)01191-6

Reference yield: 85.0%

: 75-15-0,12122-00-8
carbon disulfide

: 917-92-0
3,3-Dimethylbut-1-yne

: 29507-64-0
5-t-butyl-3H-1,2-dithiole-3-thione

Guidance literature:: 3,3-Dimethylbut-1-yne; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 0.5h;

carbon disulfide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h;

With sulfur; isopropylamine; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h;
DOI:10.1016/j.tetlet.2014.07.104