3-Amino-2-mercapto-3H-quinazolin-4-one

Base Information

• Chemical Name: 3-Amino-2-mercapto-3H-quinazolin-4-one
• CAS No.: 16951-33-0
• Molecular Formula: C8H7N3OS
• Molecular Weight: 193.229
• Hs Code.: 2933990090
• NSC Number: 699467
• DSSTox Substance ID: DTXSID10352426
• Nikkaji Number: J928.841D
• Mol file: 16951-33-0.mol

Synonyms:16951-33-0;3-Amino-2-mercapto-3H-quinazolin-4-one;3-amino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one;3-amino-2-sulfanylidene-1H-quinazolin-4-one;3-amino-2-mercaptoquinazolin-4(3h)-one;NSC699467;4(1H)-Quinazolinone, 3-amino-2,3-dihydro-2-thioxo-;3-amino-2-sulfanylquinazolin-4(3H)-one;3-amino-2-thioxo-2,3-dihydroquinazolin-4(1H)-one hydrochloride;4(1H)-Quinazolinone,3-amino-2,3-dihydro-2-thioxo-;3-amino-2-thioxo-1,3-dihydroquinazolin-4-one;3-amino-2-sulfanyl-3,4-dihydroquinazolin-4-one;Oprea1_277318;Oprea1_347736;SCHEMBL2731084;SCHEMBL15362026;DTXSID10352426;FRPVOZIFQMSLTJ-UHFFFAOYSA-N;3-amino-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one;BBL004490;BBL038015;MFCD03283476;STK261923;STK298889;AKOS000122257;AKOS002328937;NSC-699467;3-amino-2-thioxo-1H-quinazolin-4-one;3-amino-2(1H)-thioxo-4(3H)-quinazolinone;CS-0307579;FT-0637463;EN300-02217;F87836;3-AMINO-2-SULFANYL-4(3H)-QUINAZOLINONE;3-Amino-2,3-dihydro-2-thioxo-4(1h)-quinazolinone;3-Amino-2-thioxo-2,3-dihydro-1H-quinazolin-4-one;3-Amino-2-thioxo-2,3-dihydro-4(1H)-quinazolinone;J-511523;3-amino-2-thioxo-1,2,3,4-tetrahydroquinazolin-4-one;Z99600510;F1285-0697

Chemical Property of 3-Amino-2-mercapto-3H-quinazolin-4-one

Chemical Property:

• Vapor Pressure: 1.02E-05mmHg at 25°C
• Refractive Index: 1.784
• Boiling Point: 371.6 °C at 760 mmHg
• Flash Point: 178.5 °C
• PSA: 99.71000
• Density: 1.55 g/cm³
• LogP: 0.98020
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 193.03098303
• Heavy Atom Count: 13
• Complexity: 256

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-2,3-dihydro-2-thioxo-4(1H)-quinazolinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C(=S)N2)N
• Uses: 3-Amino-2,3-dihydro-2-thioxo-4(1H)-quinazolinone was used in the prepare and study of anti-HIV, antibacterial and antifungal activities of some 2,3-disubstituted quinazolin-4(3H)-ones.

Technology Process of 3-Amino-2-mercapto-3H-quinazolin-4-one

There total 27 articles about 3-Amino-2-mercapto-3H-quinazolin-4-one 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: 96.0%

methyl 2-isothiocyanatobenzoate (16024-82-1) → 3-amino-2,3-dihydro-2-thioxoquinazol-4(1H)-one (16951-33-0)

Guidance literature:

With hydrazine; In tetrahydrofuran; for 1h; Heating / reflux;

Reference yield: 94.0%

2-(2-aminophenyl)-5-mercapto-1,3,4-oxadiazole (203268-81-9,32058-76-7) → 3-amino-2-mercapto-3H-quinazolin-4-one (16951-33-0)

Guidance literature:

at 200 - 210 ℃; for 0.5h;

DOI:10.1007/BF01170752

Reference yield: 90.0%

methyl N-(2-methoxycarbonylphenyl)dithiocarbamate (106511-80-2) → 3-amino-2-mercapto-3H-quinazolin-4-one (16951-33-0)

Guidance literature:

With hydrazine hydrate; at 50 ℃; for 1.5h;

DOI:10.1248/bpb.26.557

upstream raw materials:

methyl o-methoxycarbonylphenyldithiocarbonate

3-Acetamido-2-mercaptoquinazolin-4(3H)-one

carbon disulfide

anthranilic acid hydrazide

Downstream raw materials:

5-<(3-Amino-3,4-dihydro-4-oxo-2-quinazolinyl)thio>-3-p-tolylrhodanine

2-Benzylamino-1-thia-3,3a,9-triaza-cyclopenta[b]naphthalen-4-one

2-benzoylamino-1,3,4-thiadiazolo<2,3-b>quinazolin-5-one

2-phenylamino-1,3,4-thiadiazolo<2,3-b>quinazolin-5-one