3-Dibenzothiophenamine

Base Information

• Chemical Name: 3-Dibenzothiophenamine
• CAS No.: 25288-76-0
• Molecular Formula: C12H9NS
• Molecular Weight: 199.276
• DSSTox Substance ID: DTXSID30329913
• Nikkaji Number: J467.078G
• Wikidata: Q72463508
• ChEMBL ID: CHEMBL1463997
• Mol file: 25288-76-0.mol

Synonyms:3-Dibenzothiophenamine;25288-76-0;dibenzothiophen-3-amine;Dibenzo[b,d]thiophen-3-amine;3-aminodibenzothiophene;dibenzo[b,d]thien-3-ylamine;MLS000700348;SMR000226698;dibenzothiophen-3-ylamine;dibenzothiophen-3-yl-amine;cid_425122;SCHEMBL2343867;CHEMBL1463997;BDBM93799;DTXSID30329913;HMS2618L09;MFCD01927456;AKOS006279355;AS-57812;CS-0044531;FT-0739973;F18748;AI-942/13331627;8-THIATRICYCLO[7.4.0.0(2),?]TRIDECA-1(9),2(7),3,5,10,12-HEXAEN-5-AMINE;8-thiatricyclo[7.4.0.0?,?]trideca-1(9),2(7),3,5,10,12-hexaen-5-amine

Chemical Property of 3-Dibenzothiophenamine

Chemical Property:

• Melting Point: 121-123℃
• Boiling Point: 413.2±18.0 °C(Predicted)
• PKA: 4.03±0.30(Predicted)
• PSA: 54.26000
• Density: 1.333
• LogP: 4.21790
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 199.04557046
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

99%, ^*data from raw suppliers

Dibenzo[b,d]thiophen-3-amine 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(S2)C=C(C=C3)N

Technology Process of 3-Dibenzothiophenamine

There total 10 articles about 3-Dibenzothiophenamine 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: 86.0%

3-nitrodibenzothiophenesulfoxide (68925-98-4) → 3-aminodibenzothiophene (25288-76-0)

Guidance literature:

With hydrogenchloride; stannous chloride hydrate; acetic acid; In water; at 20 ℃; for 24h; Inert atmosphere;

Reference yield: 84.0%

3-nitrodibenzo[b,d]thiophene (94764-55-3) → 3-aminodibenzothiophene (25288-76-0)

Guidance literature:

With hydrazine; palladium on activated charcoal; In ethanol; Heating;

Reference yield: 80.0%

C12H10FNS → 3-aminodibenzothiophene (25288-76-0)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl-formamide; at 10 - 30 ℃; for 2h; Inert atmosphere;

upstream raw materials:

4-iododibenzo[b,d]thiophene

3-nitrodibenzothiophenesulfoxide

3-nitrodibenzo[b,d]thiophene

dibenzothiophene

Downstream raw materials:

N-(dibenzo[b,d]thiophen-3-yl)acetamide

N-dibenzothiophen-3-yl-benzamide

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