≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Product 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.
| Pubchem Sid | 504759848 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759848 |
| Canonical Smiles | C1=CC=C2C(=C1)C(=O)NC(=S)N2 |
| IUPAC Name | 2-sulfanylidene-1H-quinazolin-4-one |
| InChIKey | PUPFOFVEHDNUJU-UHFFFAOYSA-N |
| INCHI | 1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12) |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=O)NC(=S)N2 |
| WGK Germany | 3 |
| Molecular Weight | 178.21 |
| Beilstein | 24(3/4)1423 |
| Reaxy-Rn | 136787 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136787&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinazolines |
| Alternative Parents | Pyrimidones Pyrimidinethiones 2-Thiopyrimidines Benzenoids Vinylogous amides Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazoline - Pyrimidinethione - 2-thiopyrimidine - Pyrimidone - Thiopyrimidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Thiourea - Azacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2315375 | Certificate of Analysis | Nov 07, 2022 | M158467 |
| B2315415 | Certificate of Analysis | Nov 07, 2022 | M158467 |
| B2315634 | Certificate of Analysis | Nov 07, 2022 | M158467 |
| B2315645 | Certificate of Analysis | Nov 07, 2022 | M158467 |
| Molecular Weight | 178.210 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 178.02 Da |
| Monoisotopic Mass | 178.02 Da |
| Topological Polar Surface Area | 73.200 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 229.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
