4-Tert-butylthiazole-2-thiol

Base Information

• Chemical Name: 4-Tert-butylthiazole-2-thiol
• CAS No.: 2180-05-4
• Molecular Formula: C₇H₁₁NS₂
• Molecular Weight: 173.303
• European Community (EC) Number: 671-510-4
• DSSTox Substance ID: DTXSID80356436
• Wikidata: Q82135765
• Mol file: 2180-05-4.mol

Synonyms:4-tert-butylthiazole-2-thiol;2180-05-4;4-tert-Butyl-thiazole-2-thiol;4-tert-butyl-3H-1,3-thiazole-2-thione;4-(TERT-BUTYL)THIAZOLE-2-THIOL;4-tert-butyl-2,3-dihydro-1,3-thiazole-2-thione;SCHEMBL51107;4-tert-Butyl-2-thiazolethiol;4-tert-Butyl-2-mercaptothiazole;DTXSID80356436;LORVDQSPQDOFQN-UHFFFAOYSA-N;AKOS006279210;AT15099;4-tert-butyl-1,3-thiazole-2(3H)-thione;CS-0272610;FT-0686384;EN300-7151065;AB-601/30963027

Chemical Property of 4-Tert-butylthiazole-2-thiol

Chemical Property:

• Vapor Pressure: 0.0417mmHg at 25°C
• Melting Point: 169-171°C
• Refractive Index: 1.611
• Boiling Point: 169 °C
• Flash Point: 98.2°C
• PSA: 79.93000
• Density: 1.18g/cm³
• LogP: 2.72930
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.03329170
• Heavy Atom Count: 10
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

4-TERT-BUTYL-THIAZOLE-2-THIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CSC(=S)N1

Technology Process of 4-Tert-butylthiazole-2-thiol

There total 4 articles about 4-Tert-butylthiazole-2-thiol 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: 59.0%

4-tert-Butyl-4-hydroxy-1,3-thiazolidin-2-thion (42163-52-0) → 4-tert-Butyl-2,3-dihydro-1,3-thiazol-2-thion (2180-05-4)

Guidance literature:

With hydrogenchloride; In ethyl acetate; for 2.5h; Heating;

Reference yield:

ammonium dithiocarbamate (513-74-6) + 1-Bromopinacolon (5469-26-1) → 4-t-Butyl-2-mercaptothiazol (2180-05-4)

Guidance literature:

In ethanol;

DOI:10.1016/j.bmcl.2003.11.050

Reference yield:

→ 4-tert-Butyl-2,3-dihydro-1,3-thiazol-2-thion (2180-05-4)

Guidance literature:

/BRN= 506485/, tert.-Butyldithiocarbamat;

upstream raw materials:

4-tert-Butyl-4-hydroxy-1,3-thiazolidin-2-thion

ammonium dithiocarbamate

1-Bromopinacolon