2-[[5,5-Dimethyl-3-[[3-(3-sulfonatopropyl)benzothiazol-2(3H)-ylidene]methyl]-2-cyclohexen-1-ylidene]methyl]-3-ethyl-5,6-dimethoxybenzothiazol-3-ium (CAS 72797-22-9) — formula C30H34N2O4S3, molecular weight 582.8; category organic chemicals.
| CAS Number | 72797-22-9 |
|---|---|
| Molecular Formula | C30H34N2O4S3 |
| Molecular Weight | 582.8 |
| LogP | 6.5 |
| Applications | General Manufacturing Information: Benzothiazolium, 2-[[5, 5-dimethyl-3-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-2-cyclohexen-1-ylidene]methyl]-3-ethyl-5-methoxy-, inner salt: INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: Benzothiazolium, 2-[[5, 5-dimethyl-3-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-2-cyclohexen-1-ylidene]methyl]-3-ethyl-5-methoxy-, inner salt: INACTIVE.
2-[[5,5-Dimethyl-3-[[3-(3-sulfonatopropyl)benzothiazol-2(3H)-ylidene]methyl]-2-cyclohexen-1-ylidene]methyl]-3-ethyl-5,6-dimethoxybenzothiazol-3-ium is a carbon-based organic compound with CAS registry number 72797-22-9 and molecular formula C30H34N2O4S3 (molecular weight 582.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72797-22-9
Its molecular formula C30H34N2O4S3 comprises 30 C, 34 H, 2 N, 4 O, 3 S atoms.
Also known as: 2-[[5,5-Dimethyl-3-[[3-(3-sulfonatopropyl)benzothiazol-2(3H)-ylidene]methyl]-2-cyclohexen-1-ylidene]methyl]-3-ethyl-5,6-dimethoxybenzothiazol-3-ium · 2-[[5,5-二甲基-3-[[3-(3-磺酰基丙基)苯并噻唑-2(3H)-亚基]甲基]-2-环己烯-1-亚基]甲基]-3-乙基-5,6-二甲氧基苯并噻唑-3-鎓
Category: organic chemicals
The CAS registry number of 2-[[5,5-Dimethyl-3-[[3-(3-sulfonatopropyl)benzothiazol-2(3H)-ylidene]methyl]-2-cyclohexen-1-ylidene]methyl]-3-ethyl-5,6-dimethoxybenzothiazol-3-ium is 72797-22-9.
Molecular formula C30H34N2O4S3, molecular weight 582.8.
It is also registered under: 2-[[5,5-Dimethyl-3-[[3-(3-sulfonatopropyl)benzothiazol-2(3H)-ylidene]methyl]-2-cyclohexen-1-ylidene]methyl]-3-ethyl-5,6-dimethoxybenzothiazol-3-ium, 2-[[5,5-二甲基-3-[[3-(3-磺酰基丙基)苯并噻唑-2(3H)-亚基]甲基]-2-环己烯-1-亚基]甲基]-3-乙基-5,6-二甲氧基苯并噻唑-3-鎓.
Recorded applications: General Manufacturing Information: Benzothiazolium, 2-[[5, 5-dimethyl-3-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-2-cyclohexen-1-ylidene]methyl]-3-ethyl-5-methoxy-, inner salt: INACTIVE.
Category: Organic Chemicals.
Independent reference data for 2-[[5,5-Dimethyl-3-[[3-(3-sulfonatopropyl)benzothiazol-2(3H)-ylidene]methyl]-2-cyclohexen-1-ylidene]methyl]-3-ethyl-5,6-dimethoxybenzothiazol-3-ium (CAS 72797-22-9), compiled from public chemistry databases.
| CAS 号 | 72797-22-9 |
|---|---|
| PubChem CID | 13781963 |
| 分子式 | C30H34N2O4S3 |
| IUPAC 名称 | 3-[2-[(Z)-[3-[(Z)-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate |
| Molecular Weight | 582.8 |
|---|---|
| XLogP3 | 6.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 582.16807109 |
| Monoisotopic Mass | 582.16807109 |
| Topological Polar Surface Area | 135 |
| Heavy Atom Count | 39 |
2-[[5,5-二甲基-3-[[3-(3-磺酰基丙基)苯并噻唑-2(3H)-亚基]甲基]-2-环己烯-1-亚基]甲基]-3-乙基-5,6-二甲氧基苯并噻唑-3-鎓 · CAS 72797-22-9 · C30H34N2O4S3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-[[5,5-二甲基-3-[[3-(3-磺酰基丙基)苯并噻唑-2(3H)-亚基]甲基]-2-环己烯-1-亚基]甲基]-3-乙基-5,6-二甲氧基苯并噻唑-3-鎓