2-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]ethyl acetoacetate (CAS 93981-75-0) — formula C21H21N5O5S, molecular weight 455.5; category organic chemicals.
| CAS Number | 93981-75-0 |
|---|---|
| Molecular Formula | C21H21N5O5S |
| Molecular Weight | 455.5 |
| LogP | 4.5 |
| Category | Organic Chemicals |
2-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]ethyl acetoacetate is a carbon-based organic compound with CAS registry number 93981-75-0 and molecular formula C21H21N5O5S (molecular weight 455.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 93981-75-0
Its molecular formula C21H21N5O5S comprises 21 C, 21 H, 5 N, 5 O, 1 S atoms.
Also known as: 2-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]ethyl acetoacetate · 2-[乙基[4-[(5-硝基-2,1-苯并异噻唑-3-基)偶氮]苯基]氨基]乙酰乙酸乙酯
Category: organic chemicals
The CAS registry number of 2-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]ethyl acetoacetate is 93981-75-0.
Molecular formula C21H21N5O5S, molecular weight 455.5.
It is also registered under: 2-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]ethyl acetoacetate, 2-[乙基[4-[(5-硝基-2,1-苯并异噻唑-3-基)偶氮]苯基]氨基]乙酰乙酸乙酯.
Category: Organic Chemicals.
Independent reference data for 2-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]ethyl acetoacetate (CAS 93981-75-0), compiled from public chemistry databases.
| CAS 号 | 93981-75-0 |
|---|---|
| PubChem CID | 16205915 |
| 分子式 | C21H21N5O5S |
| IUPAC 名称 | 2-[N-ethyl-4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]anilino]ethyl 3-oxobutanoate |
| UNII（FDA） | NS00039847 |
| Molecular Weight | 455.5 |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 10 |
| Exact Mass | 455.12633996 |
| Monoisotopic Mass | 455.12633996 |
| Topological Polar Surface Area | 158 |
| Heavy Atom Count | 32 |
93981-75-0; EINECS 301-162-8; 2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate; DTXSID70240097; BTDZVOVJIMUWLT-UHFFFAOYSA-N; NS00039847; 2-(Ethyl{4-[(E)-(5-nitro-2,1-benzothiazol-3-yl)diazenyl]phenyl}amino)ethyl 3-oxobutanoate
2-[乙基[4-[(5-硝基-2,1-苯并异噻唑-3-基)偶氮]苯基]氨基]乙酰乙酸乙酯 · CAS 93981-75-0 · C21H21N5O5S. UNII NS00039847.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.