METHYL (2-MERCAPTO-4-OXOQUINAZOLIN-3(4H)-YL)ACETATE (CAS 85716-94-5) — formula C11H10N2O3S, molecular weight 250.28; category organic chemicals.
| CAS Number | 85716-94-5 |
|---|---|
| Molecular Formula | C11H10N2O3S |
| Molecular Weight | 250.28 |
| LogP | 1.1 |
| Category | Organic Chemicals |
METHYL (2-MERCAPTO-4-OXOQUINAZOLIN-3(4H)-YL)ACETATE is a carbon-based organic compound with CAS registry number 85716-94-5 and molecular formula C11H10N2O3S (molecular weight 250.28), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85716-94-5
Its molecular formula C11H10N2O3S comprises 11 C, 10 H, 2 N, 3 O, 1 S atoms.
Also known as: METHYL (2-MERCAPTO-4-OXOQUINAZOLIN-3(4H)-YL)ACETATE · (2-巯基-4-氧代喹唑啉-3(4H)-YL)乙酸甲酯
Category: organic chemicals
The CAS registry number of METHYL (2-MERCAPTO-4-OXOQUINAZOLIN-3(4H)-YL)ACETATE is 85716-94-5.
Molecular formula C11H10N2O3S, molecular weight 250.28.
It is also registered under: METHYL (2-MERCAPTO-4-OXOQUINAZOLIN-3(4H)-YL)ACETATE, (2-巯基-4-氧代喹唑啉-3(4H)-YL)乙酸甲酯.
Category: Organic Chemicals.
Independent reference data for METHYL (2-MERCAPTO-4-OXOQUINAZOLIN-3(4H)-YL)ACETATE (CAS 85716-94-5), compiled from public chemistry databases.
| CAS 号 | 85716-94-5 |
|---|---|
| PubChem CID | 4846175 |
| 分子式 | C11H10N2O3S |
| IUPAC 名称 | methyl 2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetate |
| UNII（FDA） | HMS1728K12 |
| Molecular Weight | 250.28 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 250.04121336 |
| Monoisotopic Mass | 250.04121336 |
| Topological Polar Surface Area | 90.7 |
| Heavy Atom Count | 17 |
85716-94-5; methyl 2-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)acetate; methyl (2-mercapto-4-oxoquinazolin-3(4H)-yl)acetate; MFCD06655837; methyl 2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetate; methyl (4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetate; Oprea1_796192; HMS1728K12; KDA71694; SBB025119; STK262390; STK352062; AKOS001117006; AKOS005167992; CS-0233502; EN300-13405
(2-巯基-4-氧代喹唑啉-3(4H)-YL)乙酸甲酯 · CAS 85716-94-5 · C11H10N2O3S. UNII HMS1728K12.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.