Benzylpenillic acid (CAS 13093-87-3) — formula C16H18N2O4S, molecular weight 334.4; category organic chemicals.
| CAS Number | 13093-87-3 |
|---|---|
| Molecular Formula | C16H18N2O4S |
| Molecular Weight | 334.4 |
| LogP | 1.6 |
| Category | Organic Chemicals |
Benzylpenillic acid is a carbon-based organic compound with CAS registry number 13093-87-3 and molecular formula C16H18N2O4S (molecular weight 334.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 13093-87-3
Its molecular formula C16H18N2O4S comprises 16 C, 18 H, 2 N, 4 O, 1 S atoms.
Also known as: Benzylpenillic acid · 青霉素EP杂质D
Category: organic chemicals
The CAS registry number of Benzylpenillic acid is 13093-87-3.
Molecular formula C16H18N2O4S, molecular weight 334.4.
It is also registered under: Benzylpenillic acid, 青霉素EP杂质D.
Category: Organic Chemicals.
Independent reference data for Benzylpenillic acid (CAS 13093-87-3), compiled from public chemistry databases.
| CAS 号 | 13093-87-3 |
|---|---|
| PubChem CID | 253302 |
| 分子式 | C16H18N2O4S |
| IUPAC 名称 | 5-benzyl-2,2-dimethyl-7,7a-dihydro-3H-imidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid |
| UNII（FDA） | HMS3094O13 |
| Molecular Weight | 334.4 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 334.09872823 |
| Monoisotopic Mass | 334.09872823 |
| Topological Polar Surface Area | 116 |
| Heavy Atom Count | 23 |
5-Benzyl-2,2-dimethyl-2,3,7,7a-tetrahydroimidazo[5,1-b]thiazole-3,7-dicarboxylic acid; NSC76064; 5-benzyl-2,2-dimethyl-2,3,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid; MLS002693971; 5-benzyl-2,2-dimethyl-7,7a-dihydro-3H-imidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid; CHEMBL1733416; HMS3094O13; NCI60_041676; SMR001559906; H41142; 5-Benzyl-2,2-dimethyl-2,3,7,7a-tetrahydroimidazo[5,1-b]thiazole-3,7-dicarboxylicacid; Imidazo[5,7-dicarboxylic acid, 2,3,7,7a-tetrahydro-2,2-dimethyl-5-(phenylmethyl)-; Imidazo[5,7-dicarboxylic acid, 5-benzyl-2,3,7,7a-tetrahydro-2,2-dimethyl-
青霉素EP杂质D · CAS 13093-87-3 · C16H18N2O4S. UNII HMS3094O13.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 青霉素EP杂质D