ethyl 9-oxo-3-(phenylsulphonyl)-9H-thioxanthene-1-carboxylate (CAS 81116-48-5) — formula C22H16O5S2, molecular weight 424.5; category organic chemicals.
| CAS Number | 81116-48-5 |
|---|---|
| Molecular Formula | C22H16O5S2 |
| Molecular Weight | 424.5 |
| LogP | 4.5 |
| Category | Organic Chemicals |
ethyl 9-oxo-3-(phenylsulphonyl)-9H-thioxanthene-1-carboxylate is a carbon-based organic compound with CAS registry number 81116-48-5 and molecular formula C22H16O5S2 (molecular weight 424.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 81116-48-5
Its molecular formula C22H16O5S2 comprises 22 C, 16 H, 5 O, 2 S atoms.
Also known as: ethyl 9-oxo-3-(phenylsulphonyl)-9H-thioxanthene-1-carboxylate · 9-氧代-3-(苯磺酰基)-9H-噻吨-1-甲酸乙酯
Category: organic chemicals
The CAS registry number of ethyl 9-oxo-3-(phenylsulphonyl)-9H-thioxanthene-1-carboxylate is 81116-48-5.
Molecular formula C22H16O5S2, molecular weight 424.5.
It is also registered under: ethyl 9-oxo-3-(phenylsulphonyl)-9H-thioxanthene-1-carboxylate, 9-氧代-3-(苯磺酰基)-9H-噻吨-1-甲酸乙酯.
Category: Organic Chemicals.
Independent reference data for ethyl 9-oxo-3-(phenylsulphonyl)-9H-thioxanthene-1-carboxylate (CAS 81116-48-5), compiled from public chemistry databases.
| CAS 号 | 81116-48-5 |
|---|---|
| PubChem CID | 3018988 |
| 分子式 | C22H16O5S2 |
| IUPAC 名称 | ethyl 3-(benzenesulfonyl)-9-oxothioxanthene-1-carboxylate |
| UNII（FDA） | NS00060550 |
| Molecular Weight | 424.5 |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 424.04391595 |
| Monoisotopic Mass | 424.04391595 |
| Topological Polar Surface Area | 111 |
| Heavy Atom Count | 29 |
81116-48-5; EINECS 279-690-2; Ethyl 9-oxo-3-(phenylsulphonyl)-9H-thioxanthene-1-carboxylate; SCHEMBL51954; SCHEMBL30119823; GMZGPOQKBSMQOG-UHFFFAOYSA-N; DTXSID001001786; ETHYL 3-(BENZENESULFONYL)-9-OXO-9H-THIOXANTHENE-1-CARBOXYLATE; NS00060550
9-氧代-3-(苯磺酰基)-9H-噻吨-1-甲酸乙酯 · CAS 81116-48-5 · C22H16O5S2. UNII NS00060550.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.