4(1H)-Quinazolinone,2,3-dihydro-2-thioxo-3-[3-(trifluoromethyl)phenyl]

Modify Date: 2025-12-07 17:04:53

4(1H)-Quinazolinone,2,3-dihydro-2-thioxo-3-[3-(trifluoromethyl)phenyl] Structure
4(1H)-Quinazolinone,2,3-dihydro-2-thioxo-3-[3-(trifluoromethyl)phenyl] structure
Common Name 4(1H)-Quinazolinone,2,3-dihydro-2-thioxo-3-[3-(trifluoromethyl)phenyl]
CAS Number 81066-86-6 Molecular Weight 322.30500
Density 1.52g/cm3 Boiling Point 427.3ºC at 760mmHg
Molecular Formula C15H9F3N2OS Melting Point N/A
MSDS N/A Flash Point 212.2ºC

 Names

Name 2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one

 Chemical & Physical Properties

Density 1.52g/cm3
Boiling Point 427.3ºC at 760mmHg
Molecular Formula C15H9F3N2OS
Molecular Weight 322.30500
Flash Point 212.2ºC
Exact Mass 322.03900
PSA 69.88000
LogP 4.06710
Index of Refraction 1.662
InChIKey YUXDGVQAVUZOSI-UHFFFAOYSA-N
SMILES O=c1c2ccccc2[nH]c(=S)n1-c1cccc(C(F)(F)F)c1

 Safety Information

HS Code 2933990090

 Synthetic Route

~84%

4(1H)-Quinazolinone,2,3-dihydro-2-thioxo-3-[3-(trifluoromethyl)phenyl] Structure

4(1H)-Quinazoli...

CAS#:81066-86-6

Literature: Mayoral, J.; Melendez, E.; Merchan, F.; Sanchez, J. Synthesis, 1981 , # 12 p. 962

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Bioassay

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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: The chemical genetic matrix (CGM) dataset as reported in Wildenhain et al. (2015) Pre...
Source: 11924
Target: N/A
External Id: CGM data for Cell Systems paper Dec 2015
Name: qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
Source: NCGC
Target: apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id: AMA1100
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