2,5-Diaminobenzenethiol

Base Information

• Chemical Name: 2,5-Diaminobenzenethiol
• CAS No.: 507246-12-0
• Molecular Formula: C6H8N2S
• Molecular Weight: 140.209
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80598576
• Nikkaji Number: J802.571A
• Wikidata: Q82494352
• Mol file: 507246-12-0.mol

Synonyms:2,5-diaminobenzenethiol;507246-12-0;BENZENETHIOL, 2,5-DIAMINO-;2,5-Diaminobenzene-1-thiol;SCHEMBL1553731;DTXSID80598576;AKOS006342400;DB-274234

Chemical Property of 2,5-Diaminobenzenethiol

Chemical Property:

• Boiling Point: 323.9±27.0 °C(Predicted)
• PKA: 9.67±0.10(Predicted)
• PSA: 90.84000
• Density: 1.315±0.06 g/cm3(Predicted)
• LogP: 2.30210
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 140.04081944
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

2,5-DIAMINO-BENZENETHIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)S)N

Technology Process of 2,5-Diaminobenzenethiol

There total 5 articles about 2,5-Diaminobenzenethiol 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:

2-amino-5-nitrobenzenethiol (23451-98-1) → 2,5-diaminothiophenol (507246-12-0)

Guidance literature:

With hydrogenchloride; tin;

Reference yield:

thiosulfuric acid S-(2,5-diamino-phenyl ester) (93930-09-7) → 2,5-diaminothiophenol (507246-12-0)

Guidance literature:

With hydrogenchloride; sodium acetate; zinc; das Zinksalz entsteht;

Reference yield:

p-phenylenediamine hydrochloride (540-24-9,55972-71-9) → 2,5-diaminothiophenol (507246-12-0)

Guidance literature:

Multi-step reaction with 2 steps

1: water; K₂cr2O₇; aluminium sulfate; sodium thiosulfate

2: zinc; concentrated hydrochloric acid; sodium acetate / das Zinksalz entsteht

With hydrogenchloride; potassium dichromate; aluminum(III) sulfate; water; sodium acetate; sodium thiosulfate; zinc;

upstream raw materials:

2-amino-5-nitrobenzenethiol

thiosulfuric acid S-(2,5-diamino-phenyl ester)

hydrogenchloride

p-phenylenediamine hydrochloride

Downstream raw materials:

1,3-benzothiazol-6-amine

6-Amino-1,3-benzothiazol-2(3H)-one

methyl 1-(4-acetoxyphenyl)-6-amino-2-benzothiazolyl-1,4-dihydro-4-oxonicotinate

6-aminobenzo[d]thiazole-2(3H)-thione

Refernces