5-Cyclohexylamino-[1,3,4]thiadiazole-2-thiol

Base Information

• Chemical Name: 5-Cyclohexylamino-[1,3,4]thiadiazole-2-thiol
• CAS No.: 68161-70-6
• Molecular Formula: C8H13N3S2
• Molecular Weight: 215.34
• European Community (EC) Number: 653-738-6
• NSC Number: 150541
• DSSTox Substance ID: DTXSID60351747
• ChEMBL ID: CHEMBL3187771
• Mol file: 68161-70-6.mol

Synonyms:5-cyclohexylamino-[1,3,4]thiadiazole-2-thiol;68161-70-6;5-(cyclohexylamino)-1,3,4-thiadiazole-2-thiol;5-(cyclohexylamino)-3H-1,3,4-thiadiazole-2-thione;MLS003106333;NSC150541;Maybridge1_007127;Oprea1_401350;PALMATINECHLORIDEHYDRATE;CHEMBL3187771;SCHEMBL10559799;C8H13N3S2;HMS561L21;DTXSID60351747;CCG-54765;MFCD00126030;AKOS000116438;NSC-150541;BS-29380;SMR001811275;CS-0207012;EN300-03406;SR-01000643837-1;Z56840055;5-CYCLOHEXYLAMINO-1,3,4-THIADIAZOLE-2(3H)-THIONE

Chemical Property of 5-Cyclohexylamino-[1,3,4]thiadiazole-2-thiol

Chemical Property:

• Vapor Pressure: 0.00053mmHg at 25°C
• Boiling Point: 312.4°C at 760 mmHg
• Flash Point: 142.7°C
• PSA: 101.04000
• Density: 1.52g/cm³
• LogP: 3.01830
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 215.05508977
• Heavy Atom Count: 13
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

5-Cyclohexylamino-[1,3,4]thiadiazole-2-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NC2=NNC(=S)S2
• Uses: 5-Cyclohexylamino-[1,3,4]thiadiazole-2-thiol

Technology Process of 5-Cyclohexylamino-[1,3,4]thiadiazole-2-thiol

There total 3 articles about 5-Cyclohexylamino-[1,3,4]thiadiazole-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:

carbon disulfide (75-15-0,12122-00-8) + 4-cyclohexyl-thiosemicarbazide (21198-18-5) → 5-(cyclohexylamino)-1,3,4-thiadiazole-2-thiol (68161-70-6)

Guidance literature:

In ethanol; Heating;

Reference yield:

isothiocyanatocyclohexane (1122-82-3) → 5-(cyclohexylamino)-1,3,4-thiadiazole-2-thiol (68161-70-6)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate / ethanol / 20 °C

2: sodium hydroxide / ethanol / 8 h / Reflux

With hydrazine hydrate; sodium hydroxide; In ethanol;

DOI:10.3390/molecules22112004

Reference yield:

→ 5-(cyclohexylamino)-1,3,4-thiadiazole-2-thiol (68161-70-6)

Guidance literature:

entspr. Thiosemicarbazid, CS2/DMF;

upstream raw materials:

carbon disulfide

4-cyclohexyl-thiosemicarbazide

isothiocyanatocyclohexane

Downstream raw materials:

N-cyclohexyl-5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine

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