Benzimidazo[1,2-c]quinazoline-6(5H)-thione

Base Information

• Chemical Name: Benzimidazo[1,2-c]quinazoline-6(5H)-thione
• CAS No.: 24192-82-3
• Molecular Formula: C14H9 N3 S
• Molecular Weight: 251.312
• Hs Code.: 2933990090
• European Community (EC) Number: 246-071-3
• DSSTox Substance ID: DTXSID30947010
• Nikkaji Number: J287.182C
• Wikidata: Q82924756
• Mol file: 24192-82-3.mol

Synonyms:24192-82-3;Benzimidazo[1,2-c]quinazoline-6(5H)-thione;12H-benzimidazolo[1,2-c]quinazoline-6-thione;benzo[4,5]imidazo[1,2-c]quinazoline-6(5H)-thione;Benzimidazo(1,2-c)quinazoline-6(5H)-thione;Benzo[4,5]imidazo[1,2-c]quinazoline-6-thiol;benzimidazo[1,2-c]quinazoline-6(12h)-thione;EINECS 246-071-3;Oprea1_053645;SCHEMBL1176707;SCHEMBL10513492;DTXSID30947010;AKOS000122031;AKOS002091316;benzimidazo[1,2-c]quinazoline-6-thione;EU-0061205;EN300-03196;VU0113102-3;SR-01000557061;SR-01000557061-1;Z56812783;F3168-1690;[1,3]BENZIMIDAZO[1,2-C]QUINAZOLINE-6(5H)-THIONE;8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene-9-thiol;8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-9-thiol

Chemical Property of Benzimidazo[1,2-c]quinazoline-6(5H)-thione

Chemical Property:

• Vapor Pressure: 7.58E-08mmHg at 25°C
• Melting Point: 308-310 °C
• Boiling Point: 437.3°Cat760mmHg
• PKA: 9.56±0.20(Predicted)
• Flash Point: 218.2°C
• PSA: 65.18000
• Density: 1.45g/cm³
• LogP: 3.69830
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 251.05171847
• Heavy Atom Count: 18
• Complexity: 541

Purity/Quality:

97% ^*data from raw suppliers

BENZO[4,5]IMIDAZO[1,2-C]QUINAZOLINE-6-THIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC3=C4C=CC=CC4=NC(=S)N23

Technology Process of Benzimidazo[1,2-c]quinazoline-6(5H)-thione

There total 23 articles about Benzimidazo[1,2-c]quinazoline-6(5H)-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: 95.0%

carbon disulfide (75-15-0,12122-00-8) + 2-(aminophenyl)benzimidazole (5805-39-0) → 6-thioxo-5,6-dihydrobenzimidazo<1,2-c>quinazoline (24192-82-3)

Guidance literature:

2-(aminophenyl)benzimidazole; With potassium hydroxide; In N,N-dimethyl-formamide; for 2h;

carbon disulfide; In N,N-dimethyl-formamide; for 2h; Further stages.;

DOI:10.1016/j.jorganchem.2008.05.022

Reference yield: 93.0%

2-(aminophenyl)benzimidazole (5805-39-0) + tetramethylammonium trifluoromethanethiolate → 6-thioxo-5,6-dihydrobenzimidazo<1,2-c>quinazoline (24192-82-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1021/acs.orglett.7b00689

Reference yield: 85.0%

3-(2-amino-phenyl)-2-thioxo-2,3-dihydro-1H-quinazolin-4-one (422274-32-6) → 6-thioxo-5,6-dihydrobenzimidazo<1,2-c>quinazoline (24192-82-3)

Guidance literature:

In acetic acid; N,N-dimethyl-formamide; for 3h; Heating;

DOI:10.1515/HC.2002.8.3.233

upstream raw materials:

carbon disulfide

2-(aminophenyl)benzimidazole

2-(o-triphenylphosphoranylideneamino)phenyl benzimidazole

thiophosgene

Downstream raw materials:

2-(aminophenyl)benzimidazole

6-oxo-5,6-dihydrobenzimidazo<1,2-c>quinazoline

6-β-Hydroxyethylaminobenzimidazo<1,2-c>chinazolin

6-β-Hydroxypropylaminobenzimidazo<1,2-c>chinazolin