ethyl 2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 52535-69-0) — formula C19H21NO3S, molecular weight 343.4; category organic chemicals.
| CAS Number | 52535-69-0 |
|---|---|
| Molecular Formula | C19H21NO3S |
| Molecular Weight | 343.4 |
| LogP | 4.7 |
| Category | Organic Chemicals |
ethyl 2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is a carbon-based organic compound with CAS registry number 52535-69-0 and molecular formula C19H21NO3S (molecular weight 343.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 52535-69-0
Its molecular formula C19H21NO3S comprises 19 C, 21 H, 1 N, 3 O, 1 S atoms.
Also known as: ethyl 2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate · 2-[(苯乙酰基)氨基]-4,5,6,7-四氢-1-苯并噻吩-3-甲酸乙酯
Category: organic chemicals
The CAS registry number of ethyl 2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 52535-69-0.
Molecular formula C19H21NO3S, molecular weight 343.4.
It is also registered under: ethyl 2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 2-[(苯乙酰基)氨基]-4,5,6,7-四氢-1-苯并噻吩-3-甲酸乙酯.
Category: Organic Chemicals.
Independent reference data for ethyl 2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 52535-69-0), compiled from public chemistry databases.
| CAS 号 | 52535-69-0 |
|---|---|
| PubChem CID | 40409 |
| 分子式 | C19H21NO3S |
| IUPAC 名称 | ethyl 2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| UNII（FDA） | HMS1411O03 |
| Molecular Weight | 343.4 |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 343.12421471 |
| Monoisotopic Mass | 343.12421471 |
| Topological Polar Surface Area | 83.6 |
| Heavy Atom Count | 24 |
52535-69-0; RefChem:1084884; Ethyl 4,5,6,7-tetrahydro-2-((2-phenylacetyl)amino)benzo(b)thiophene-3-carboxylate; ETHYL 2-(2-PHENYLACETAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE; ethyl 2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; Ethyl 2-(2-phenylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate; CHEMBL1922942; BRN 4734604; ethyl 2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; Enamine_006004; 2-(2-Phenylacetamido)-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxylic acid ethyl ester; Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(2-phenylacetamido)-, ethyl ester; Oprea1_297958; Oprea1_665317; 5-18-12-00221 (Beilstein Handbook Reference); SCHEMBL1038897
| 已通报的危害声明 | H413 (100%) |
|---|
2-[(苯乙酰基)氨基]-4,5,6,7-四氢-1-苯并噻吩-3-甲酸乙酯 · CAS 52535-69-0 · C19H21NO3S. UNII HMS1411O03.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.