Thieno[2,3-d]pyrimidine-4-thiol

Base Information

• Chemical Name: Thieno[2,3-d]pyrimidine-4-thiol
• CAS No.: 14080-55-8
• Molecular Formula: C₆H₄N₂S₂
• Molecular Weight: 168.243
• Hs Code.: 2934999090
• European Community (EC) Number: 816-944-9
• DSSTox Substance ID: DTXSID50367150
• Wikidata: Q72508426
• Mol file: 14080-55-8.mol

Synonyms:Thieno[2,3-d]pyrimidine-4-thiol;14080-55-8;Thieno[2,3-d]pyrimidine-4(3H)-thione;3H-thieno[2,3-d]pyrimidine-4-thione;SCHEMBL913578;DTXSID50367150;HMS1762G06;BBL010126;MFCD03964666;STK711181;AKOS000807507;AKOS001073099;SDCCGMLS-0065560.P001;VS-02329;BB 0218378;EN300-04446;F1174-3208;Z203045820

Chemical Property of Thieno[2,3-d]pyrimidine-4-thiol

Chemical Property:

• Vapor Pressure: 0.000218mmHg at 25°C
• Refractive Index: 1.801
• Boiling Point: 325.6 °C at 760 mmHg
• PKA: 8.73±0.20(Predicted)
• Flash Point: 150.7 °C
• PSA: 92.82000
• Density: 1.6 g/cm³
• LogP: 1.98000
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 167.98159048
• Heavy Atom Count: 10
• Complexity: 190

Purity/Quality:

97% ^*data from raw suppliers

thieno[2,3-d]pyrimidine-4-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC2=C1C(=S)NC=N2

Technology Process of Thieno[2,3-d]pyrimidine-4-thiol

There total 3 articles about Thieno[2,3-d]pyrimidine-4-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:

4-chlorothieno[2,3-d]pyrimidine (14080-59-2) → 4-Thioxo-3,4-dihydro-thieno<2,3-d>pyrimidin (14080-55-8)

Guidance literature:

With thiourea; Heating;

Reference yield:

→ 4-Thioxo-3,4-dihydro-thieno<2,3-d>pyrimidin (14080-55-8)

Guidance literature:

5, Thioharnstoff/EtOH;

Reference yield:

→ 4-Mercapto-thieno<2,3-d>pyrimidin (14080-55-8)

Guidance literature:

4-Chlor-thieno<2,3-d>pyrimidin, Thioharnstoff;

upstream raw materials:

4-chlorothieno[2,3-d]pyrimidine

Downstream raw materials:

4-(benzylthio)thieno[2,3-d]pyrimidine

2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid

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