158828
2-Mercapto-4(3H)-quinazolinone
97%
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About This Item
Empirical Formula (Hill Notation):
C8H6N2OS
CAS Number:
Molecular Weight:
178.21
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
237-676-3
MDL number:
Assay:
97%
Form:
liquid
assay
97%
form
liquid
mp
>300 °C (lit.)
SMILES string
SC1=Nc2ccccc2C(=O)N1
InChI
1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
InChI key
PUPFOFVEHDNUJU-UHFFFAOYSA-N
General description
The FTIR and FT-Raman spectra of 2-mercapto-4(3H) quinazolinone has been studied. Alkylation of 2-mercapto-4(3H)-quinazolinone has been reported.
Application
2-Mercapto-4(3H)-quinazolinone was employed as a modifier for the carbon paste electrode, for voltammetric determination of mercury. It was used in the synthesis of 4-quinazolinone derivatives, inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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N Prabavathi et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 129, 572-583 (2014-05-13)
The FTIR and FT-Raman spectra of 2-mercapto-4(3H) quinazolinone have been recorded in the region 4000-450 and 4000-100 cm(-1), respectively. The optimized geometry, frequency and intensity of the vibrational bands of 2-mercapto-4(3H) quinazolinone (2MQ) were obtained by the density functional theory
Stripping voltammetric determination of trace amounts of mercury using a carbon paste electrode modified with 2-mercapto-4 (3H)-quinazolinone.
Cai X, et al.
Microchimica Acta, 112(1-4), 135-146 (1993)
Synthesis and study of new 4-quinazolinone inhibitors of the DNA repair enzyme poly (ADP-ribose) polymerase (PARP).
Kulcsar G, et al.
ARKIVOC (Gainesville, FL, United States), 121, 131-131 (2003)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 158828-10G | 04061838744166 |