hydrogen 5-chloro-2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulphonatopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]propen-1-yl]-3-ethyl-1-(sulphonatopropyl)-6-(trifluoromethyl)-1h-benzimidazolium (CAS 30377-70-9) — formula C29H30Cl2F6N4O6S2, molecular weight 779.6; category organic chemicals.
hydrogen 5-chloro-2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulphonatopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]propen-1-yl]-3-ethyl-1-(sulphonatopropyl)-6-(trifluoromethyl)-1h-benzimidazolium is a carbon-based organic compound with CAS registry number 30377-70-9 and molecular formula C29H30Cl2F6N4O6S2 (molecular weight 779.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 30377-70-9
Its molecular formula C29H30Cl2F6N4O6S2 comprises 29 C, 30 H, 2 Cl, 6 F, 4 N, 6 O, 2 S atoms.
Also known as: hydrogen 5-chloro-2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulphonatopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]propen-1-yl]-3-ethyl-1-(sulphonatopropyl)-6-(trifluoromethyl)-1h-benzimidazolium · hydrogen 5-chloro-2-[3-[5-chloro-3-(3-sulphonatopropyl)-3H-benzoxazol-2-ylidene]-2-ethylprop-1-enyl]-3-(3-sulphonatopropyl)benzoxazolium, compound with triethylamine (1:1)
Category: organic chemicals
The CAS registry number of hydrogen 5-chloro-2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulphonatopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]propen-1-yl]-3-ethyl-1-(sulphonatopropyl)-6-(trifluoromethyl)-1h-benzimidazolium is 30377-70-9.
Molecular formula C29H30Cl2F6N4O6S2, molecular weight 779.6.
It is also registered under: hydrogen 5-chloro-2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulphonatopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]propen-1-yl]-3-ethyl-1-(sulphonatopropyl)-6-(trifluoromethyl)-1h-benzimidazolium, hydrogen 5-chloro-2-[3-[5-chloro-3-(3-sulphonatopropyl)-3H-benzoxazol-2-ylidene]-2-ethylprop-1-enyl]-3-(3-sulphonatopropyl)benzoxazolium, compound with triethylamine (1:1).
Category: Organic Chemicals.
Public-database records for hydrogen 5-chloro-2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulphonatopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]propen-1-yl]-3-ethyl-1-(sulphonatopropyl)-6-(trifluoromethyl)-1h-benzimidazolium (CAS 30377-70-9), reproduced here for independent cross-checking.
| CAS 号 | 30377-70-9 |
|---|---|
| PubChem CID | 3035341 |
| 分子式 | C29H30Cl2F6N4O6S2 |
| IUPAC 名称 | 3-[5-chloro-2-[3-[6-chloro-1-ethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-6-(trifluoromethyl)benzimidazol-1-ium-1-yl]propane-1-sulfonate |
| UNII（FDA） | NS00028914 |
| 分子量 | 779.6 |
|---|---|
| XLogP3 | 6.4 |
| 氢键供体数 | 1 |
| 氢键受体数 | 14 |
| 可旋转键数 | 11 |
| 精确质量 | 778.0888014 |
| 单同位素质量 | 778.0888014 |
| 拓扑极性表面积 | 144 |
| 重原子数 | 49 |
| 形式电荷 | 0 |
氢 5-氯-2-[3-[5-氯-3-乙基-1,3-二氢-1-(3-磺基丙基)-6-(三氟甲基)-2H-苯并咪唑-2-亚基]丙烯-1-基]-3-乙基-1-(磺基丙基)-6-(三氟甲基)-1h-苯并咪唑 · CAS 30377-70-9 · C29H30Cl2F6N4O6S2. UNII NS00028914.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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