sodium 3-{2-[4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl}propane-1-sulfonate (CAS 62796-23-0) — formula C26H32N3NaO6S2, molecular weight 569.7; category organic chemicals.
| CAS Number | 62796-23-0 |
|---|---|
| Molecular Formula | C26H32N3NaO6S2 |
| Molecular Weight | 569.7 |
| Applications | General Manufacturing Information: 3(2H)-Benzoxazolepropanesulfonic acid, 2-[4-(1, 3-dibutyltetrahydro-4, 6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-buten-1-ylidene]-, sodium salt (1:1): ACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: 3(2H)-Benzoxazolepropanesulfonic acid, 2-[4-(1, 3-dibutyltetrahydro-4, 6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-buten-1-ylidene]-, sodium salt (1:1): ACTIVE.
sodium 3-{2-[4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl}propane-1-sulfonate is a carbon-based organic compound with CAS registry number 62796-23-0 and molecular formula C26H32N3NaO6S2 (molecular weight 569.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 62796-23-0
Its molecular formula C26H32N3NaO6S2 comprises 26 C, 32 H, 3 N, 1 Na, 6 O, 2 S atoms.
Also known as: sodium 3-{2-[4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl}propane-1-sulfonate · 部花青 540
Category: organic chemicals
The CAS registry number of sodium 3-{2-[4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl}propane-1-sulfonate is 62796-23-0.
Molecular formula C26H32N3NaO6S2, molecular weight 569.7.
It is also registered under: sodium 3-{2-[4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl}propane-1-sulfonate, 部花青 540.
Recorded applications: General Manufacturing Information: 3(2H)-Benzoxazolepropanesulfonic acid, 2-[4-(1, 3-dibutyltetrahydro-4, 6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-buten-1-ylidene]-, sodium salt (1:1): ACTIVE.
Category: Organic Chemicals.
Independent reference data for sodium 3-{2-[4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl}propane-1-sulfonate (CAS 62796-23-0), compiled from public chemistry databases.
| CAS 号 | 62796-23-0 |
|---|---|
| PubChem CID | 4072 |
| 分子式 | C26H32N3NaO6S2 |
| IUPAC 名称 | sodium 3-[2-[4-(1,3-dibutyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonate |
| UNII（FDA） | BS0KSN6L1U |
| Molecular Weight | 569.7 |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 12 |
| Exact Mass | 569.16302238 |
| Monoisotopic Mass | 569.16302238 |
| Topological Polar Surface Area | 151 |
| Heavy Atom Count | 38 |
Merocyanine 540; DTXSID8069646; CHEBI:52129; NK-2272; RefChem:156622; DTXCID7043534; BS0KSN6L1U; NSC-369286; 62796-23-0; Merocyanin 540; SCHEMBL179749; OSQUFVVXNRMSHL-UHFFFAOYSA-M; 2417524-85-5; F867579; F9995-0285
| 已通报的危害声明 | H315 (100%), H319 (100%), H335 (100%) |
|---|
部花青 540 · CAS 62796-23-0 · C26H32N3NaO6S2. UNII BS0KSN6L1U.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 部花青 540