5,6-Dimethoxy-2-methyl-3-(3-sulfonatopropyl)benzothiazol-3-ium (CAS 63148-95-8) — formula C13H17NO5S2, molecular weight 331.4; category organic chemicals.
| CAS Number | 63148-95-8 |
|---|---|
| Molecular Formula | C13H17NO5S2 |
| Molecular Weight | 331.4 |
| LogP | 1.9 |
| Category | Organic Chemicals |
5,6-Dimethoxy-2-methyl-3-(3-sulfonatopropyl)benzothiazol-3-ium is a carbon-based organic compound with CAS registry number 63148-95-8 and molecular formula C13H17NO5S2 (molecular weight 331.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 63148-95-8
Its molecular formula C13H17NO5S2 comprises 13 C, 17 H, 1 N, 5 O, 2 S atoms.
Also known as: 5,6-Dimethoxy-2-methyl-3-(3-sulfonatopropyl)benzothiazol-3-ium · 5,6-二甲氧基-2-甲基-3-(3-磺酰基丙基)苯并噻唑-3-鎓
Category: organic chemicals
The CAS registry number of 5,6-Dimethoxy-2-methyl-3-(3-sulfonatopropyl)benzothiazol-3-ium is 63148-95-8.
Molecular formula C13H17NO5S2, molecular weight 331.4.
It is also registered under: 5,6-Dimethoxy-2-methyl-3-(3-sulfonatopropyl)benzothiazol-3-ium, 5,6-二甲氧基-2-甲基-3-(3-磺酰基丙基)苯并噻唑-3-鎓.
Category: Organic Chemicals.
Independent reference data for 5,6-Dimethoxy-2-methyl-3-(3-sulfonatopropyl)benzothiazol-3-ium (CAS 63148-95-8), compiled from public chemistry databases.
| CAS 号 | 63148-95-8 |
|---|---|
| PubChem CID | 113072 |
| 分子式 | C13H17NO5S2 |
| IUPAC 名称 | 3-(5,6-dimethoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate |
| UNII（FDA） | ST50561411 |
| Molecular Weight | 331.4 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 331.05481499 |
| Monoisotopic Mass | 331.05481499 |
| Topological Polar Surface Area | 116 |
| Heavy Atom Count | 21 |
63148-95-8; Benzothiazolium, 5,6-dimethoxy-2-methyl-3-(3-sulfopropyl)-, inner salt; DTXSID3069724; RefChem:118664; DTXCID1043706; 3-(5,6-dimethoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate; FZYBQTUSQBICMA-UHFFFAOYSA-N; 5,6-Dimethoxy-2-methyl-3-(3-sulfonatopropyl)benzothiazol-3-ium; STK366360; AKOS005443039; DB-219248; ST50561411; 3-(5,6-dimethoxy-2-methylbenzothiazol-3-yl)propanesulfonic acid
| 已通报的危害声明 | H302 (100%) |
|---|
5,6-二甲氧基-2-甲基-3-(3-磺酰基丙基)苯并噻唑-3-鎓 · CAS 63148-95-8 · C13H17NO5S2. UNII ST50561411.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.