ethyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate (CAS 82191-17-1) — formula C12H13NO3S, molecular weight 251.30; category organic chemicals.
| CAS Number | 82191-17-1 |
|---|---|
| Molecular Formula | C12H13NO3S |
| Molecular Weight | 251.30 |
| LogP | 1.6 |
| Category | Organic Chemicals |
ethyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate is a carbon-based organic compound with CAS registry number 82191-17-1 and molecular formula C12H13NO3S (molecular weight 251.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 82191-17-1
Its molecular formula C12H13NO3S comprises 12 C, 13 H, 1 N, 3 O, 1 S atoms.
Also known as: ethyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate · 2-(3-氧代-3,4-二氢-2H-1,4-苯并噻嗪-2-基)乙酸乙酯
Category: organic chemicals
The CAS registry number of ethyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate is 82191-17-1.
Molecular formula C12H13NO3S, molecular weight 251.30.
It is also registered under: ethyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate, 2-(3-氧代-3,4-二氢-2H-1,4-苯并噻嗪-2-基)乙酸乙酯.
Category: Organic Chemicals.
Independent reference data for ethyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate (CAS 82191-17-1), compiled from public chemistry databases.
| CAS Registry Number | 82191-17-1 |
|---|---|
| PubChem CID | 2778792 |
| Molecular formula | C12H13NO3S |
| IUPAC name | ethyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate |
| UNII (FDA) | HMS2446N23 |
| Molecular Weight | 251.30 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 251.06161445 |
| Monoisotopic Mass | 251.06161445 |
| Topological Polar Surface Area | 80.7 |
| Heavy Atom Count | 17 |
82191-17-1; ethyl 2-(3-oxo-3,4-dihydro-2h-1,4-benzothiazin-2-yl)acetate; DTXSID70381136; RefChem:342418; DTXCID50332161; Ethyl 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetate; ethyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate; MFCD00023888; ethyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate; Ethyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl) acetate; SMR000031584; Maybridge1_004746; Oprea1_484347; MLS000045975; SCHEMBL4335577; CHEMBL1302294
| Reported hazard statements | H302 (100%), H312 (100%), H315 (100%), H319 (100%), H332 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
ethyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate · CAS 82191-17-1 · C12H13NO3S. UNII HMS2446N23.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.