2-[2-[[3-(2-carboxyethyl)-5-chloro-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-3-(3-sulphonatopropyl)benzothiazolium (CAS 94232-70-9) — formula C25H24Cl2N2O5S3, molecular weight 599.6; category organic chemicals.
| CAS Number | 94232-70-9 |
|---|---|
| Molecular Formula | C25H24Cl2N2O5S3 |
| Molecular Weight | 599.6 |
| LogP | 6.6 |
| Category | Organic Chemicals |
2-[2-[[3-(2-carboxyethyl)-5-chloro-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-3-(3-sulphonatopropyl)benzothiazolium is a carbon-based organic compound with CAS registry number 94232-70-9 and molecular formula C25H24Cl2N2O5S3 (molecular weight 599.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94232-70-9
Its molecular formula C25H24Cl2N2O5S3 comprises 25 C, 24 H, 2 Cl, 2 N, 5 O, 3 S atoms.
Also known as: 2-[2-[[3-(2-carboxyethyl)-5-chloro-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-3-(3-sulphonatopropyl)benzothiazolium · 2-[2-[[3-(2-羧乙基)-5-氯-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-5-氯-3-(3-磺基丙基)苯并噻唑鎓
Category: organic chemicals
The CAS registry number of 2-[2-[[3-(2-carboxyethyl)-5-chloro-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-3-(3-sulphonatopropyl)benzothiazolium is 94232-70-9.
Molecular formula C25H24Cl2N2O5S3, molecular weight 599.6.
It is also registered under: 2-[2-[[3-(2-carboxyethyl)-5-chloro-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-3-(3-sulphonatopropyl)benzothiazolium, 2-[2-[[3-(2-羧乙基)-5-氯-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-5-氯-3-(3-磺基丙基)苯并噻唑鎓.
Category: Organic Chemicals.
Independent reference data for 2-[2-[[3-(2-carboxyethyl)-5-chloro-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-3-(3-sulphonatopropyl)benzothiazolium (CAS 94232-70-9), compiled from public chemistry databases.
| CAS 号 | 94232-70-9 |
|---|---|
| PubChem CID | 20734703 |
| 分子式 | C25H24Cl2N2O5S3 |
| IUPAC 名称 | 3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate |
| Molecular Weight | 599.6 |
|---|---|
| XLogP3 | 6.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 598.0224408 |
| Monoisotopic Mass | 598.0224408 |
| Topological Polar Surface Area | 164 |
| Heavy Atom Count | 37 |
2-[2-[[3-(2-羧乙基)-5-氯-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-5-氯-3-(3-磺基丙基)苯并噻唑鎓 · CAS 94232-70-9 · C25H24Cl2N2O5S3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-[2-[[3-(2-羧乙基)-5-氯-3H-苯并噻唑-2-亚基]甲基]丁-1-烯基]-5-氯-3-(3-磺基丙基)苯并噻唑鎓