1,3,4-Thiadiazol-2-amine, 5-(ethylthio)-

Base Information

• Chemical Name: 1,3,4-Thiadiazol-2-amine, 5-(ethylthio)-
• CAS No.: 25660-70-2
• Molecular Formula: C4H7 N3 S2
• Molecular Weight: 161.252
• Hs Code.: 2934999090
• European Community (EC) Number: 247-169-9
• NSC Number: 522480
• UNII: 9LN2D4YF1E
• DSSTox Substance ID: DTXSID6067121
• Nikkaji Number: J113.044G
• Wikidata: Q72437004
• ChEMBL ID: CHEMBL572180
• Mol file: 25660-70-2.mol

Synonyms:25660-70-2;2-Amino-5-ethylthio-1,3,4-thiadiazole;1,3,4-Thiadiazol-2-amine, 5-(ethylthio)-;5-(Ethylthio)-1,3,4-thiadiazol-2-amine;5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-amine;2-Amino-5-(ethylthio)-1,3,4-thiadiazole;5-ethylsulfanyl-1,3,4-thiadiazol-2-amine;1,3,4-Thiadiazole, 2-amino-5-(ethylthio)-;9LN2D4YF1E;EINECS 247-169-9;NSC 522480;NSC-522480;5-Amino-2-(ethylthio)-1,3,4-thiadiazole;NSC522480;MYRISTYLOLEATE;UNII-9LN2D4YF1E;Oprea1_180691;SCHEMBL94572;MLS000056968;CHEMBL572180;DTXSID6067121;CHEBI:194786;HMS2402A20;GEO-00136;MFCD00040401;STK397370;AKOS000112107;AT18881;5-Ethylthio-1,3,4-thiadiazol-2-amine;AS-63882;SMR000064003;TL 00786;2-Amino-5-ethyl thio-1,3,4-thiadiazole;5-ethylsulanyl-1,3,4-thiadiazol-2-amine;1,4-Thiadiazol-2-amine, 5-(ethylthio)-;1,4-Thiadiazole, 2-amino-5-(ethylthio)-;FT-0611138;EN300-15461;5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-amine #;2-Amino-5-(ethylthio)-1,3,4-thiadiazole, 99%;AE-484/30082025;2-AMINO-5-ETHYLSULFANYL-1,3,4-THIADIAZOLE;W-200261;Z18452636;F1386-0086

Chemical Property of 1,3,4-Thiadiazol-2-amine, 5-(ethylthio)-

Chemical Property:

• Appearance/Colour: YELLOW FINE CRYSTALLINE POWDER
• Vapor Pressure: 0.000283mmHg at 25°C
• Melting Point: 135-137oC
• Refractive Index: 1.5800 (estimate)
• Boiling Point: 322.2°Cat760mmHg
• Flash Point: 148.7°C
• PSA: 106.07000
• Density: 1.39g/cm³
• LogP: 1.16240
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 161.00813958
• Heavy Atom Count: 9
• Complexity: 89.9

Purity/Quality:

99% ^*data from raw suppliers

5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/22
• Safety Statements: 24/25-23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCSC1=NN=C(S1)N

Technology Process of 1,3,4-Thiadiazol-2-amine, 5-(ethylthio)-

There total 8 articles about 1,3,4-Thiadiazol-2-amine, 5-(ethylthio)- 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: 94.4%

ethyl iodide (75-03-6) + 2-Amino-5-mercapto-1,3,4-thiadiazole (2349-67-9) → 2-amino-5-(ethylthio)-1,3,4-thiadiazole (25660-70-2)

Guidance literature:

With potassium hydroxide; In water; isopropyl alcohol; at 0 - 60 ℃; for 2h;

Reference yield: 89.0%

ethyl bromide (74-96-4) + 2-Amino-5-mercapto-1,3,4-thiadiazole (2349-67-9) → 2-amino-5-(ethylthio)-1,3,4-thiadiazole (25660-70-2)

Guidance literature:

2-Amino-5-mercapto-1,3,4-thiadiazole; With pyridine; triethylamine; at 20 ℃; for 0.5h;

ethyl bromide; at 20 ℃; for 4h;

DOI:10.3390/molecules23123132

Reference yield: 84.0%

ethyl isothiocyanate (542-90-5) + thiosemicarbazide (79-19-6) → 2-amino-5-(ethylthio)-1,3,4-thiadiazole (25660-70-2)

Guidance literature:

With PPA; Heating;

upstream raw materials:

ethyl iodide

5-amino-2,3-dihydro-1,3,4-thiadiazole-2-thione

2-Amino-5-mercapto-1,3,4-thiadiazole

ethanol

Downstream raw materials:

N-((5-ethylthio)-1,3,4-thiadiazol-2-yl)-4-methylbenzene-1-sulfonamide

N-[5-(ethylsulfanyl)-1,3,4-thiadiazole-2-yI]-5-methoxy-1-H-indole-2-carboxamide

C₂₆H₃₅N₃OS₃

Refernces

• 1、 Deckert, Christoph,Bittner, Denis,Carrella, Luca M.,Schollmeyer, Dieter,Rentschler, Eva. "Synthesis, Structural and Spectroscopic Characterization of CrIII, FeIII, CoIII, NiII and CuII Complexes with an Asymmetric 1,3,4-Thiadiazole Ligand". . p. 1738 - 1747. Retrieved 2016.
• 2、 Gogoi, Robin,Kumar, Rajesh,Pal, Suprabhat,Singh, Vikrant. "Design and development of 1,3,4-thiadiazole based potent new nano-fungicides". . . Retrieved 2020/06/17.
• 3、 Ruan, Xianghui,Zhang, Cheng,Jiang, Shichun,Guo, Tao,Xia, Rongjiao,Chen, Ying,Tang, Xu,Xue, Wei. "Design, synthesis, and biological activity of novel myricetin derivatives containing amide, thioether, and 1,3,4-thiadiazole moieties". . . Retrieved 2018/12/11.