3-Pyridylthiourea

Base Information

• Chemical Name: 3-Pyridylthiourea
• CAS No.: 30162-37-9
• Molecular Formula: C6H7N3S
• Molecular Weight: 153.208
• Hs Code.: 29333990
• European Community (EC) Number: 250-075-0
• NSC Number: 201721
• UNII: E5X3ZXQ52C
• DSSTox Substance ID: DTXSID30184246
• Nikkaji Number: J249.935E
• Mol file: 30162-37-9.mol

Synonyms:3-Pyridylthiourea;30162-37-9;pyridin-3-ylthiourea;1-(3-Pyridyl)-2-thiourea;1-(pyridin-3-yl)thiourea;pyridin-3-yl-thiourea;(pyridin-3-yl)thiourea;n-pyridin-3-ylthiourea;1-pyridin-3-ylthiourea;1-(3-Pyridyl)-2-thiourea,;EINECS 250-075-0;MFCD00014635;NSC-201721;3-pyridinylthiourea;pyrid-3-ylthiourea;N-3-Pyridylthiourea;NSC201721;pyrid-3-yl-thiourea;N-3-Pyridinylthiourea;1-(3-pyridyl)thiourea;(pyridin-3-yl)-thiourea;N-(3-Pyridinyl)thiourea;Thiourea, N-3-pyridinyl-;E5X3ZXQ52C;Oprea1_269568;SCHEMBL525722;1-(3-pyridinyl)-2-thiourea;DTXSID30184246;CFOJQUGXHMGMOT-UHFFFAOYSA-N;AKOS005202768;FS-4738;NSC 201721;CS-0216792;FT-0605639;EN300-60622;VU0489652-1;A820227;F1906-0019

Chemical Property of 3-Pyridylthiourea

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 0.00125mmHg at 25°C
• Melting Point: 159 °C
• Refractive Index: 1.742
• Boiling Point: 298.7 °C at 760 mmHg
• PKA: 12.07±0.70(Predicted)
• Flash Point: 134.4 °C
• PSA: 83.03000
• Density: 1.382 g/cm³
• LogP: 1.51040
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 153.03606841
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

1-(3-Pyridyl)-2-thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.
• Hazard Codes: R22:Harmful if swallowed.
• Statements: 22-36/37/38-25
• Safety Statements: 22-36/37-45-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3-Pyridylthiourea

There total 8 articles about 3-Pyridylthiourea 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: 87.0%

N-(pyridin-3-ylcarbamothioyl)benzamide (30162-36-8) → 3-pyridylthiourea (30162-37-9)

Guidance literature:

With sodium hydroxide; at 80 ℃; for 0.25h;

DOI:10.1055/s-1988-27605

Reference yield: 64.0%

→ 3-pyridylthiourea (30162-37-9)

Guidance literature:

In ethanol; at 20 ℃;

Reference yield:

methyl pyridin-3-ylcarbamodithioate (52054-85-0) → 3-pyridylthiourea (30162-37-9)

Guidance literature:

With ammonium hydroxide; In methanol; for 2h; Reflux;

DOI:10.1016/j.ejmech.2016.04.042

upstream raw materials:

N-(pyridin-3-ylcarbamothioyl)benzamide

pyridin-3-ylamine

ammonium thiocyanate

1-phenyl-3-(pyridin-3-yl)thiourea

Downstream raw materials:

C₁₄H₁₀FN₃S

(4S)-4-(N-benzyloxycarbonyl-2-aminoethyl)-2-[(pyridyl-3)amino]imidazoline

N-(2-methoxybenzyl)-N'-pyridin-3-yl-guanidine acetate

3-({imino[(2-methoxybenzyl)amino]methyl}amino)-1-methylpyridinium acetate

Refernces

• 1、 Zeng, Yan-Qun,Cao, Rui-Yuan,Yang, Jian-Ling,Li, Xing-Zhou,Li, Song,Zhong, Wu. "Design, synthesis and biological evaluation of novel HSP70 inhibitors: N, N′-disubstituted thiourea derivatives". . p. 83 - 95. Retrieved 2016/05/24.
• 2、 Treder, Adam P.,Andruszkiewicz, Ryszard,Zgoda, W?odzimierz,Walkowiak, Aleksandra,Ford, Celeste,Hudson, Alan L.. "New imidazoline/α2-adrenoceptors affecting compounds-4(5)-(2-aminoethyl)imidazoline (dihydrohistamine) derivatives. Synthesis and receptor affinity studies". scheme or table. p. 156 - 167. Retrieved 2011/03/18.