5-[(3-benzylbenzoxazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid (CAS 63815-90-7) — formula C21H16N2O4S2, molecular weight 424.5; category organic chemicals.
| CAS Number | 63815-90-7 |
|---|---|
| Molecular Formula | C21H16N2O4S2 |
| Molecular Weight | 424.5 |
| LogP | 4.4 |
| Applications | General Manufacturing Information: 3-Thiazolidineacetic acid, 4-oxo-5-[2-[3-(phenylmethyl)-2(3H)-benzoxazolylidene]ethylidene]-2-thioxo-: INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: 3-Thiazolidineacetic acid, 4-oxo-5-[2-[3-(phenylmethyl)-2(3H)-benzoxazolylidene]ethylidene]-2-thioxo-: INACTIVE.
5-[(3-benzylbenzoxazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid is a carbon-based organic compound with CAS registry number 63815-90-7 and molecular formula C21H16N2O4S2 (molecular weight 424.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 63815-90-7
Its molecular formula C21H16N2O4S2 comprises 21 C, 16 H, 2 N, 4 O, 2 S atoms.
Also known as: 5-[(3-benzylbenzoxazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid · 5-[(3-苄基苯并恶唑-2(3H)-亚基)亚乙基]-4-氧代-2-硫代噻唑烷-3-乙酸
Category: organic chemicals
The CAS registry number of 5-[(3-benzylbenzoxazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid is 63815-90-7.
Molecular formula C21H16N2O4S2, molecular weight 424.5.
It is also registered under: 5-[(3-benzylbenzoxazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid, 5-[(3-苄基苯并恶唑-2(3H)-亚基)亚乙基]-4-氧代-2-硫代噻唑烷-3-乙酸.
Recorded applications: General Manufacturing Information: 3-Thiazolidineacetic acid, 4-oxo-5-[2-[3-(phenylmethyl)-2(3H)-benzoxazolylidene]ethylidene]-2-thioxo-: INACTIVE.
Category: Organic Chemicals.
Independent reference data for 5-[(3-benzylbenzoxazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid (CAS 63815-90-7), compiled from public chemistry databases.
| CAS 号 | 63815-90-7 |
|---|---|
| PubChem CID | 113895 |
| 分子式 | C21H16N2O4S2 |
| IUPAC 名称 | 2-[5-[2-(3-benzyl-1,3-benzoxazol-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid |
| UNII（FDA） | NS00035577 |
| Molecular Weight | 424.5 |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 424.05514934 |
| Monoisotopic Mass | 424.05514934 |
| Topological Polar Surface Area | 127 |
| Heavy Atom Count | 29 |
EINECS 264-481-0; 3-Thiazolidineacetic acid, 4-oxo-5-((3-(phenylmethyl)-2(3H)-benzoxazolylidene)ethylidene)-2-thioxo-; 3-Thiazolidineacetic acid, 4-oxo-5-(2-(3-(phenylmethyl)-2(3H)-benzoxazolylidene)ethylidene)-2-thioxo-; 3-Thiazolidineacetic acid, 4-oxo-5-[[3-(phenylmethyl)-2(3H)-benzoxazolylidene]ethylidene]-2-thioxo-; 3-thiazolidineacetic acid, 4-oxo-5-[2-[3-(phenylmethyl)-2(3h)-benzoxazolylidene]ethylidene]-2-thioxo-; RefChem:505429; 63815-90-7; 5-[(3-benzylbenzoxazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid; 5-((3-Benzylbenzoxazol-2(3H)-ylidene)ethylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid; DQAIDCLYYZYFRB-UHFFFAOYSA-N; DB-317045; NS00035577
5-[(3-苄基苯并恶唑-2(3H)-亚基)亚乙基]-4-氧代-2-硫代噻唑烷-3-乙酸 · CAS 63815-90-7 · C21H16N2O4S2. UNII NS00035577.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.