4-amino-5-ethyl-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 4-amino-5-ethyl-4H-1,2,4-triazole-3-thiol
• CAS No.: 20939-16-6
• Molecular Formula: C4H8N4S
• Molecular Weight: 144.2
• Hs Code.: 2933990090
• NSC Number: 166131
• DSSTox Substance ID: DTXSID70361433
• Nikkaji Number: J996.204B
• Mol file: 20939-16-6.mol

Synonyms:20939-16-6;4-amino-5-ethyl-4H-1,2,4-triazole-3-thiol;4-amino-3-ethyl-1H-1,2,4-triazole-5-thione;4-Amino-5-ethyl-4H-[1,2,4]triazole-3-thiol;MFCD00128485;NSC166131;SCHEMBL10011830;4-AMINO-3-MERCAPTO-5-(ETHYL)-[1,2,4]-TRIAZOLE;4-AMINO-5-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL,97;DTXSID70361433;STK141110;STL272080;AKOS000115757;AKOS002308516;NSC 166131;NSC-166131;4-amino-3-ethyl-5-mercapto-s-triazole;LS-01668;BB 0245159;FT-0617520;EN300-03073;3-Ethyl-4-amino-4H-1,2,4-triazole-5-thiol;4-amino-3-ethyl-1h-1,2,4-triazole-5(4h)-thione;Z55981991;F0832-0168;4-amino-5-ethyl-2,4-dihydro-3H-1,2,4-triazole-3-thione;4-AMINO-5-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL, 97

Chemical Property of 4-amino-5-ethyl-4H-1,2,4-triazole-3-thiol

Chemical Property:

• Vapor Pressure: 0.162mmHg at 25°C
• Melting Point: 184oC
• Boiling Point: 213.7°Cat760mmHg
• PKA: 9.20±0.20(Predicted)
• Flash Point: 83°C
• PSA: 91.72000
• Density: 1.55g/cm³
• LogP: 0.79810
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 144.04696745
• Heavy Atom Count: 9
• Complexity: 164

Purity/Quality:

98%min ^*data from raw suppliers

4-Amino-5-ethyl-4H-1,2,4-triazole-3-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NNC(=S)N1N

Technology Process of 4-amino-5-ethyl-4H-1,2,4-triazole-3-thiol

There total 7 articles about 4-amino-5-ethyl-4H-1,2,4-triazole-3-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: 80.0%

C4H7N2OS2(1-)*K(1+) (90992-69-1) → 4-amino-3-ethyl-1,2,4-triazole-5-thiol (20939-16-6)

Guidance literature:

With hydrazine hydrate; at 140 - 160 ℃; for 4h;

Reference yield: 76.0%

propionic acid (802294-64-0,79-09-4) + Thiocarbohydrazide (2231-57-4) → 4-amino-3-ethyl-4,5-dihydro-1H-1,2,4-triazole-5-thione (20939-16-6)

Guidance literature:

for 4h; Heating;

DOI:10.1016/S0022-2860(98)00470-0

Reference yield: 58.3%

propionic acid (802294-64-0,79-09-4) + 4-methylthiosemicarbazide (6610-29-3) → 4-amino-3-ethyl-4,5-dihydro-1H-1,2,4-triazole-5-thione (20939-16-6)

Guidance literature:

at 100 ℃; for 9h; Reflux;

upstream raw materials:

C₄H₇N₂OS₂^(1-)*K⁽¹⁺⁾

propionic acid

Thiocarbohydrazide

thiosemicarbazide

Downstream raw materials:

3-ethyl-6-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

3-ethyl-6-phenyl-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole

6-(p-Tolyl)-3-aethyl-1.2.4-triazolo<3.4-b><1.3.4>thiadiazol

3-ethyl-6-styryl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole