1,3,4-Thiadiazole-2(3H)-thione

Base Information

• Chemical Name: 1,3,4-Thiadiazole-2(3H)-thione
• CAS No.: 18686-82-3
• Deprecated CAS: 50268-94-5
• Molecular Formula: C2H2N2S2
• Molecular Weight: 118.183
• Hs Code.: 2934999090
• European Community (EC) Number: 242-504-5
• NSC Number: 184817
• DSSTox Substance ID: DTXSID8066399
• Nikkaji Number: J24.646H
• Mol file: 18686-82-3.mol

Synonyms:5-mercapto-1,3,4-thiadiazole

Chemical Property of 1,3,4-Thiadiazole-2(3H)-thione

Chemical Property:

• Appearance/Colour: White to slightly yellow crystalline powder
• Vapor Pressure: 1.11mmHg at 25°C
• Melting Point: 142-144 °C
• Refractive Index: 1.849
• Boiling Point: 176 °C at 760 mmHg
• PKA: 6.45±0.20(Predicted)
• Flash Point: 60.3 °C
• PSA: 92.82000
• Density: 1.73 g/cm³
• LogP: 0.82680
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Soluble in methanol.
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 117.96594042
• Heavy Atom Count: 6
• Complexity: 97.7

Purity/Quality:

99% ^*data from raw suppliers

2-Mercapto-1,3,4-thiadiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NNC(=S)S1
• Uses: ceftezole thiazole heterocyclic compound 2-Mercapto-1,3,4-thiadiazole is used as pharmaceutical intermediate.

Technology Process of 1,3,4-Thiadiazole-2(3H)-thione

There total 10 articles about 1,3,4-Thiadiazole-2(3H)-thione 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:

[1,3,4]Thiadiazol-2-ylamin (4005-51-0) → 2-mercapto-1,3,4-thiadiazole (18686-82-3)

Guidance literature:

With hydrogen bromide; copper; sodium nitrite;

Reference yield:

CH4N2S2*C6H15N (56366-87-1) + orthoformic acid triethyl ester (122-51-0) → 2-mercapto-1,3,4-thiadiazole (18686-82-3)

Guidance literature:

CH₄N₂S₂*C₆H₁₅N; orthoformic acid triethyl ester;

With potassium carbonate; acetic acid;

Reference yield:

→ 2-mercapto-1,3,4-thiadiazole (18686-82-3)

Guidance literature:

Verb.3, HCl;

DOI:10.1016/S0040-4039(01)82348-0

upstream raw materials:

2-bromo-1,3,4-thiadiazole

thiourea

C₂H₃N₂OS₂^(1-)*K⁽¹⁺⁾

[1,3,4]Thiadiazol-2-ylamin

Downstream raw materials:

1,3,4-thiadiazole

p-nitrobenzyl (6S,7S)-7-(4-nitrophthalimido)-8-oxo-3-<(1,3,4-thiadiazol-2-yl)thiomethyl>-1-aza-4-oxabicyclo<4.2.0>oct-2-ene-2-carboxylate

(6S,7S)-7-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-8-oxo-3-([1,3,4]thiadiazol-2-ylsulfanylmethyl)-4-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester

benzhydryl (1S,5R,6S)-1-(2-p-methoxybenzyloxyethyl)-2-(1,3,4-thiadiazol-2-yl)thiomethyl-6-<(1R)-1-triethylsilyloxyethyl>carbapen-2-em-3-carboxylate