1,3-Benzothiazole-2,5-diamine

Base Information

• Chemical Name: 1,3-Benzothiazole-2,5-diamine
• CAS No.: 50480-29-0
• Molecular Formula: C7H7N3S
• Molecular Weight: 165.219
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID00354313
• Wikidata: Q82132374
• ChEMBL ID: CHEMBL1719861
• Mol file: 50480-29-0.mol

Synonyms:1,3-benzothiazole-2,5-diamine;50480-29-0;Benzo[d]thiazole-2,5-diamine;Benzothiazole-2,5-diamine;2,5-benzothiazolediamine;UPENN_ABS_032;MLS002280490;5-amino-benzothiazol-2-ylamine;SCHEMBL2190447;CHEMBL1719861;AMH_003;DTXSID00354313;HGSZQBRMZNHXJZ-UHFFFAOYSA-N;HMS2204K23;MFCD00781838;STK500889;AKOS000108124;AT27607;SMR001318310;TS-00129;BB 0244241;CS-0370425;FT-0748497;EN300-2982972

Chemical Property of 1,3-Benzothiazole-2,5-diamine

Chemical Property:

• Vapor Pressure: 9.49E-07mmHg at 25°C
• Melting Point: 175 °C
• Refractive Index: 1.838
• Boiling Point: 404.4 °C at 760 mmHg
• PKA: 5.39±0.10(Predicted)
• Flash Point: 198.4 °C
• Density: 1.49 g/cm³
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 165.03606841
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

98%min ^*data from raw suppliers

Benzo[d]thiazole-2,5-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=C1N)N=C(S2)N

Technology Process of 1,3-Benzothiazole-2,5-diamine

There total 7 articles about 1,3-Benzothiazole-2,5-diamine 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: 66.0%

5-nitro-benzothiazol-2-ylamine (73458-39-6) → benzo[d]thiazole-2,5-diamine (50480-29-0)

Guidance literature:

With ethanol; tin(ll) chloride; at 80 ℃; for 4h;

Reference yield:

2,4-dinitro-phenyl thiocyanate (1594-56-5) → benzo[d]thiazole-2,5-diamine (50480-29-0)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

Reference yield:

5-aminobenzothiazole (1123-93-9) → benzo[d]thiazole-2,5-diamine (50480-29-0)

Guidance literature:

With hydrogenchloride; sodium hydroxide; hydroxylamine;

upstream raw materials:

5-aminobenzothiazole

2,4-dinitro-phenyl thiocyanate

3-nitro-4-thiocyanatoaniline

hydrogenchloride

Downstream raw materials:

1-(2-aminobenzothiazol-5-yl)-3-benzoylthiourea

(2-aminobenzothiazol-5-yl)thiourea

2,6-diaminobenzo<1,2-d:5,4-d'>bisthiazole