2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulphonatobutyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium (CAS 40703-12-6) — formula C25H27Cl2N3O4S, molecular weight 536.5; category organic chemicals.
| CAS Number | 40703-12-6 |
|---|---|
| Molecular Formula | C25H27Cl2N3O4S |
| Molecular Weight | 536.5 |
| LogP | 6.2 |
| Category | Organic Chemicals |
2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulphonatobutyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium is a carbon-based organic compound with CAS registry number 40703-12-6 and molecular formula C25H27Cl2N3O4S (molecular weight 536.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 40703-12-6
Its molecular formula C25H27Cl2N3O4S comprises 25 C, 27 H, 2 Cl, 3 N, 4 O, 1 S atoms.
Also known as: 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulphonatobutyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium · 2-[3-[5,6-二氯-1-乙基-1,3-二氢-3-(3-磺基丁基)-2H-苯并咪唑-2-亚基]丙-1-烯基]-3-乙基苯并恶唑鎓
Category: organic chemicals
The CAS registry number of 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulphonatobutyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium is 40703-12-6.
Molecular formula C25H27Cl2N3O4S, molecular weight 536.5.
It is also registered under: 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulphonatobutyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium, 2-[3-[5,6-二氯-1-乙基-1,3-二氢-3-(3-磺基丁基)-2H-苯并咪唑-2-亚基]丙-1-烯基]-3-乙基苯并恶唑鎓.
Category: Organic Chemicals.
Independent reference data for 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulphonatobutyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium (CAS 40703-12-6), compiled from public chemistry databases.
| CAS 号 | 40703-12-6 |
|---|---|
| PubChem CID | 44146740 |
| 分子式 | C25H27Cl2N3O4S |
| IUPAC 名称 | 4-[(2E)-5,6-dichloro-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]butane-2-sulfonate |
| Molecular Weight | 536.5 |
|---|---|
| XLogP3 | 6.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 535.1099329 |
| Monoisotopic Mass | 535.1099329 |
| Topological Polar Surface Area | 89.1 |
| Heavy Atom Count | 35 |
2-[3-[5,6-二氯-1-乙基-1,3-二氢-3-(3-磺基丁基)-2H-苯并咪唑-2-亚基]丙-1-烯基]-3-乙基苯并恶唑鎓 · CAS 40703-12-6 · C25H27Cl2N3O4S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-[3-[5,6-二氯-1-乙基-1,3-二氢-3-(3-磺基丁基)-2H-苯并咪唑-2-亚基]丙-1-烯基]-3-乙基苯并恶唑鎓