2-[[3-[(3-Ethyl-5,6-dimethoxybenzothiazol-2(3H)-ylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-3-(3-sulfonatopropyl)benzothiazol-3-ium (CAS 72845-30-8) — formula C31H36N2O5S3, molecular weight 612.8; category organic chemicals.
| CAS Number | 72845-30-8 |
|---|---|
| Molecular Formula | C31H36N2O5S3 |
| Molecular Weight | 612.8 |
| LogP | 6.5 |
| Category | Organic Chemicals |
2-[[3-[(3-Ethyl-5,6-dimethoxybenzothiazol-2(3H)-ylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-3-(3-sulfonatopropyl)benzothiazol-3-ium is a carbon-based organic compound with CAS registry number 72845-30-8 and molecular formula C31H36N2O5S3 (molecular weight 612.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72845-30-8
Its molecular formula C31H36N2O5S3 comprises 31 C, 36 H, 2 N, 5 O, 3 S atoms.
Also known as: 2-[[3-[(3-Ethyl-5,6-dimethoxybenzothiazol-2(3H)-ylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-3-(3-sulfonatopropyl)benzothiazol-3-ium · 2-[[3-[(3-乙基-5,6-二甲氧基苯并噻唑-2(3H)-亚基)甲基]-5,5-二甲基-2-环己烯-1-亚基]甲基]-3-(3-磺酰基丙基)苯并噻唑-3-鎓
Category: organic chemicals
The CAS registry number of 2-[[3-[(3-Ethyl-5,6-dimethoxybenzothiazol-2(3H)-ylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-3-(3-sulfonatopropyl)benzothiazol-3-ium is 72845-30-8.
Molecular formula C31H36N2O5S3, molecular weight 612.8.
It is also registered under: 2-[[3-[(3-Ethyl-5,6-dimethoxybenzothiazol-2(3H)-ylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-3-(3-sulfonatopropyl)benzothiazol-3-ium, 2-[[3-[(3-乙基-5,6-二甲氧基苯并噻唑-2(3H)-亚基)甲基]-5,5-二甲基-2-环己烯-1-亚基]甲基]-3-(3-磺酰基丙基)苯并噻唑-3-鎓.
Category: Organic Chemicals.
Independent reference data for 2-[[3-[(3-Ethyl-5,6-dimethoxybenzothiazol-2(3H)-ylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-3-(3-sulfonatopropyl)benzothiazol-3-ium (CAS 72845-30-8), compiled from public chemistry databases.
| CAS 号 | 72845-30-8 |
|---|---|
| PubChem CID | 13781965 |
| 分子式 | C31H36N2O5S3 |
| IUPAC 名称 | 3-[2-[(Z)-[3-[(Z)-(3-ethyl-5,6-dimethoxy-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 | 612.8 |
|---|---|
| XLogP3 | 6.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 612.17863577 |
| Monoisotopic Mass | 612.17863577 |
| Topological Polar Surface Area | 145 |
| Heavy Atom Count | 41 |
2-[[3-[(3-乙基-5,6-二甲氧基苯并噻唑-2(3H)-亚基)甲基]-5,5-二甲基-2-环己烯-1-亚基]甲基]-3-(3-磺酰基丙基)苯并噻唑-3-鎓 · CAS 72845-30-8 · C31H36N2O5S3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-[[3-[(3-乙基-5,6-二甲氧基苯并噻唑-2(3H)-亚基)甲基]-5,5-二甲基-2-环己烯-1-亚基]甲基]-3-(3-磺酰基丙基)苯并噻唑-3-鎓