1,3,4-Thiadiazol-2-amine, monohydrochloride

Base Information

• Chemical Name: 1,3,4-Thiadiazol-2-amine, monohydrochloride
• CAS No.: 26861-87-0
• Molecular Formula: C2H3 N3 S . Cl H
• Molecular Weight: 137.593
• Hs Code.: 2934999090
• European Community (EC) Number: 248-067-7
• DSSTox Substance ID: DTXSID0067262
• Mol file: 26861-87-0.mol

Synonyms:ATDA hydrochloride;1,3,4-Thiadiazol-2-amine, monohydrochloride;ATDA HCl;2-Amino-1,3,4-thiadiazole hydrochloride;26861-87-0;EINECS 248-067-7;2-Amino-1,3,4-thiadiazole, monohydrochloride;1,3,4-Thiadiazole, 2-amino-, hydrochloride;1,3,4-THIADIAZOL-2-AMINE MONOHYDROCHLORIDE;C2H3N3S.ClH;C2-H3-N3-S.Cl-H;SCHEMBL3501973;DTXSID0067262;LS-150244;FT-0702099;1,3,4-Thiadiazole, 2-amino-, monohydrochloride;1,3,4-Thiadiazol-2-amine, hydrochloride (1:1)

Chemical Property of 1,3,4-Thiadiazol-2-amine, monohydrochloride

Chemical Property:

• Vapor Pressure: 0.0412mmHg at 25°C
• Boiling Point: 238.9°Cat760mmHg
• Flash Point: 98.3°C
• PSA: 80.77000
• Density: 1.495g/cm³
• LogP: 0.85240
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 136.9814460
• Heavy Atom Count: 7
• Complexity: 48.1

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s): 3
• Hazard Codes: 3

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NN=C(S1)N.Cl

Technology Process of 1,3,4-Thiadiazol-2-amine, monohydrochloride

There total 1 articles about 1,3,4-Thiadiazol-2-amine, monohydrochloride 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-formylthiosemicarbazide (2302-84-3) + acetyl chloride (75-36-5) → [1,3,4]thiadiazol-2-ylamine; hydrochloride (26861-87-0)

Guidance literature:

at 20 ℃;

Reference yield: 95.0%

methyl 2-isocyanatobenzoate (1793-07-3) + [1,3,4]thiadiazol-2-ylamine; hydrochloride (26861-87-0) → 2-(3-[1,3,4]Thiadiazol-2-yl-ureido)-benzoic acid methyl ester

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; for 24h; Ambient temperature;

DOI:10.1021/jm970394d

Reference yield:

ammonium thiocyanate + [1,3,4]thiadiazol-2-ylamine; hydrochloride (26861-87-0) + phenyl chloroformate (1885-14-9) → [(1,3,4-thiadiazol-2-ylamino)thioxomethyl]carbamic acid, phenyl ester

Guidance literature:

With methyloxirane; In acetonitrile;

upstream raw materials:

1-formylthiosemicarbazide

acetyl chloride

Downstream raw materials:

2-Ureido-1,3,4-thiadiazol