1-(Pyrimidin-2-yl)thiourea

Base Information

• Chemical Name: 1-(Pyrimidin-2-yl)thiourea
• CAS No.: 31437-20-4
• Molecular Formula: C5H6N4S
• Molecular Weight: 154.195
• Hs Code.: 2933599090
• European Community (EC) Number: 672-245-7
• DSSTox Substance ID: DTXSID10375195
• Wikidata: Q82163717
• Mol file: 31437-20-4.mol

Synonyms:1-(Pyrimidin-2-yl)thiourea;31437-20-4;pyrimidin-2-ylthiourea;n-pyrimidin-2-ylthiourea;(pyrimidin-2-yl)thiourea;1-pyrimidin-2-ylthiourea;N-pyrimidin-2ylthiourea;pyrimidin-2-yl-thiourea;SCHEMBL360111;1-(pyrimidin-2-yl)-thiourea;DTXSID10375195;MCCLFFQZNBEOAV-UHFFFAOYSA-N;BBL036719;MFCD02662218;STL559098;AKOS006343718;MS-8163;FT-0711431;D85858;EN300-156110;A928067;F1906-0021

Chemical Property of 1-(Pyrimidin-2-yl)thiourea

Chemical Property:

• Melting Point: 278-280°C
• Boiling Point: 343.6±25.0 °C(Predicted)
• PKA: 10.88±0.70(Predicted)
• PSA: 95.92000
• Density: 1.482±0.06 g/cm3(Predicted)
• LogP: 0.90540
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.03131738
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

97% ^*data from raw suppliers

1-(Pyrimidin-2-yl)thiourea ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(N=C1)NC(=S)N

Technology Process of 1-(Pyrimidin-2-yl)thiourea

There total 5 articles about 1-(Pyrimidin-2-yl)thiourea 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: 82.0%

C20H16N4O2S (858675-23-7) → pyrimidin-2-yl-thiourea (31437-20-4)

Guidance literature:

With piperidine; In dichloromethane; for 3h;

Reference yield: 77.0%

→ pyrimidin-2-yl-thiourea (31437-20-4)

Guidance literature:

In ethanol; at 20 ℃;

Reference yield: 57.0%

N-(pyrimidin-2-ylcarbamothioyl)benzamide (31437-19-1) → pyrimidin-2-yl-thiourea (31437-20-4)

Guidance literature:

With sodium hydroxide; at 80 - 87 ℃; for 0.0833333h;

DOI:10.1055/s-1988-27605

upstream raw materials:

N-(pyrimidin-2-ylcarbamothioyl)benzamide

C₂₀H₁₆N₄O₂S

2-aminopyrimidine

ammonium thiocyanate

Downstream raw materials:

[4-(3,4-dimethoxyphenyl)-thiazol-2-yl]-pyrimidin-2-yl-amine

N-benzyl-4-(pyridin-2-yl)-2-(pyrimidin-2-ylamino)thiazole-5-carboxamide hydrochloride

C₂₀H₁₆N₆OS

C₁₉H₁₆N₆OS