1-methyl-2-[2-[[5-phenyl-3-(3-sulphonatobutyl)-3H-benzoxazol-2-ylidene]methyl]-1-butenyl]naphtho[1,2-d]thiazolium (CAS 61891-06-3) — formula C34H32N2O4S2, molecular weight 596.8; category organic chemicals.
| CAS Number | 61891-06-3 |
|---|---|
| Molecular Formula | C34H32N2O4S2 |
| Molecular Weight | 596.8 |
| LogP | 8.6 |
| Category | Organic Chemicals |
1-methyl-2-[2-[[5-phenyl-3-(3-sulphonatobutyl)-3H-benzoxazol-2-ylidene]methyl]-1-butenyl]naphtho[1,2-d]thiazolium is a carbon-based organic compound with CAS registry number 61891-06-3 and molecular formula C34H32N2O4S2 (molecular weight 596.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 61891-06-3
Its molecular formula C34H32N2O4S2 comprises 34 C, 32 H, 2 N, 4 O, 2 S atoms.
Also known as: 1-methyl-2-[2-[[5-phenyl-3-(3-sulphonatobutyl)-3H-benzoxazol-2-ylidene]methyl]-1-butenyl]naphtho[1,2-d]thiazolium · 1-甲基-2-[2-[[5-苯基-3-(3-磺基丁基)-3H-苯并恶唑-2-亚基]甲基]-1-丁烯基]萘并[1,2-d]噻唑鎓
Category: organic chemicals
The CAS registry number of 1-methyl-2-[2-[[5-phenyl-3-(3-sulphonatobutyl)-3H-benzoxazol-2-ylidene]methyl]-1-butenyl]naphtho[1,2-d]thiazolium is 61891-06-3.
Molecular formula C34H32N2O4S2, molecular weight 596.8.
It is also registered under: 1-methyl-2-[2-[[5-phenyl-3-(3-sulphonatobutyl)-3H-benzoxazol-2-ylidene]methyl]-1-butenyl]naphtho[1,2-d]thiazolium, 1-甲基-2-[2-[[5-苯基-3-(3-磺基丁基)-3H-苯并恶唑-2-亚基]甲基]-1-丁烯基]萘并[1,2-d]噻唑鎓.
Category: Organic Chemicals.
Independent reference data for 1-methyl-2-[2-[[5-phenyl-3-(3-sulphonatobutyl)-3H-benzoxazol-2-ylidene]methyl]-1-butenyl]naphtho[1,2-d]thiazolium (CAS 61891-06-3), compiled from public chemistry databases.
| CAS 号 | 61891-06-3 |
|---|---|
| PubChem CID | 6454300 |
| 分子式 | C34H32N2O4S2 |
| IUPAC 名称 | 4-[(2Z)-2-[(2Z)-2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazol-3-yl]butane-2-sulfonate |
| Molecular Weight | 596.8 |
|---|---|
| XLogP3 | 8.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 596.18034985 |
| Monoisotopic Mass | 596.18034985 |
| Topological Polar Surface Area | 110 |
| Heavy Atom Count | 42 |
1-甲基-2-[2-[[5-苯基-3-(3-磺基丁基)-3H-苯并恶唑-2-亚基]甲基]-1-丁烯基]萘并[1,2-d]噻唑鎓 · CAS 61891-06-3 · C34H32N2O4S2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1-甲基-2-[2-[[5-苯基-3-(3-磺基丁基)-3H-苯并恶唑-2-亚基]甲基]-1-丁烯基]萘并[1,2-d]噻唑鎓