3-(4-NITRO-PHENYL)-2-THIOXO-2,3-DIHYDRO-1H-QUINAZOLIN-4-ONE (CAS 72176-80-8) — formula C14H9N3O3S, molecular weight 299.31; category organic chemicals.
| CAS Number | 72176-80-8 |
|---|---|
| Molecular Formula | C14H9N3O3S |
| Molecular Weight | 299.31 |
| LogP | 2.6 |
| Category | Organic Chemicals |
3-(4-NITRO-PHENYL)-2-THIOXO-2,3-DIHYDRO-1H-QUINAZOLIN-4-ONE is a carbon-based organic compound with CAS registry number 72176-80-8 and molecular formula C14H9N3O3S (molecular weight 299.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72176-80-8
Its molecular formula C14H9N3O3S comprises 14 C, 9 H, 3 N, 3 O, 1 S atoms.
Also known as: 3-(4-NITRO-PHENYL)-2-THIOXO-2,3-DIHYDRO-1H-QUINAZOLIN-4-ONE · 3-(4-硝基苯基)-2-硫代-2,3-二氢喹唑啉-4(1H)-酮
Category: organic chemicals
The CAS registry number of 3-(4-NITRO-PHENYL)-2-THIOXO-2,3-DIHYDRO-1H-QUINAZOLIN-4-ONE is 72176-80-8.
Molecular formula C14H9N3O3S, molecular weight 299.31.
It is also registered under: 3-(4-NITRO-PHENYL)-2-THIOXO-2,3-DIHYDRO-1H-QUINAZOLIN-4-ONE, 3-(4-硝基苯基)-2-硫代-2,3-二氢喹唑啉-4(1H)-酮.
Category: Organic Chemicals.
Independent reference data for 3-(4-NITRO-PHENYL)-2-THIOXO-2,3-DIHYDRO-1H-QUINAZOLIN-4-ONE (CAS 72176-80-8), compiled from public chemistry databases.
| CAS 号 | 72176-80-8 |
|---|---|
| PubChem CID | 2346869 |
| 分子式 | C14H9N3O3S |
| IUPAC 名称 | 3-(4-nitrophenyl)-2-sulfanylidene-1H-quinazolin-4-one |
| UNII（FDA） | C14H9N3O3S |
| Molecular Weight | 299.31 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 299.03646233 |
| Monoisotopic Mass | 299.03646233 |
| Topological Polar Surface Area | 110 |
| Heavy Atom Count | 21 |
72176-80-8; DTXSID10368204; 3-(4-Nitrophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one; RefChem:274867; DTXCID20319242; 3-(4-Nitrophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one; 3-(4-Nitrophenyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone; 3-(4-nitrophenyl)-2-sulfanylidene-1H-quinazolin-4-one; 3-(4-nitrophenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one; MFCD02916354; 2-Mercapto-3-(4-nitro-phenyl)-3H-quinazolin-4-one; C14H9N3O3S; 3-(4-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one; 2,3-Dihydro-3-(4-nitrophenyl)-2-thioxoquinazolin-4(1H)-one; Oprea1_031074; Oprea1_690253
3-(4-硝基苯基)-2-硫代-2,3-二氢喹唑啉-4(1H)-酮 · CAS 72176-80-8 · C14H9N3O3S. UNII C14H9N3O3S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.