2-methyl-3-(3-sulphonatobutyl)benzothiazolium (CAS 63149-03-1) — formula C12H15NO3S2, molecular weight 285.4; category organic chemicals.
| CAS Number | 63149-03-1 |
|---|---|
| Molecular Formula | C12H15NO3S2 |
| Molecular Weight | 285.4 |
| LogP | 2.4 |
| Applications | General Manufacturing Information: Benzothiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt: ACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: Benzothiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt: ACTIVE.
2-methyl-3-(3-sulphonatobutyl)benzothiazolium is a carbon-based organic compound with CAS registry number 63149-03-1 and molecular formula C12H15NO3S2 (molecular weight 285.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 63149-03-1
Its molecular formula C12H15NO3S2 comprises 12 C, 15 H, 1 N, 3 O, 2 S atoms.
Also known as: 2-methyl-3-(3-sulphonatobutyl)benzothiazolium · 2-甲基-3-(3-磺基丁基)苯并噻唑鎓
Category: organic chemicals
The CAS registry number of 2-methyl-3-(3-sulphonatobutyl)benzothiazolium is 63149-03-1.
Molecular formula C12H15NO3S2, molecular weight 285.4.
It is also registered under: 2-methyl-3-(3-sulphonatobutyl)benzothiazolium, 2-甲基-3-(3-磺基丁基)苯并噻唑鎓.
Recorded applications: General Manufacturing Information: Benzothiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 2-methyl-3-(3-sulphonatobutyl)benzothiazolium (CAS 63149-03-1), compiled from public chemistry databases.
| CAS 号 | 63149-03-1 |
|---|---|
| PubChem CID | 112609 |
| 分子式 | C12H15NO3S2 |
| IUPAC 名称 | 4-(2-methyl-1,3-benzothiazol-3-ium-3-yl)butane-2-sulfonate |
| UNII（FDA） | HMS2170G24 |
| Molecular Weight | 285.4 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 285.04933569 |
| Monoisotopic Mass | 285.04933569 |
| Topological Polar Surface Area | 97.7 |
| Heavy Atom Count | 18 |
63149-03-1; Benzothiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt; EINECS 263-951-2; Benzothiazolium, 2-methyl-3-(3-sulfobutyl)-, hydroxide, inner salt; RefChem:118607; 2-Methyl-3-(3-sulphonatobutyl)benzothiazolium; 4-(2-methyl-1,3-benzothiazol-3-ium-3-yl)butane-2-sulfonate; SMR000174192; MLS000552346; CHEMBL1429904; IMJOWVNDQJOJND-UHFFFAOYSA-N; DTXSID801014997; HMS2170G24; HMS3309J02; STK874227; AKOS000547108
2-甲基-3-(3-磺基丁基)苯并噻唑鎓 · CAS 63149-03-1 · C12H15NO3S2. UNII HMS2170G24.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-甲基-3-(3-磺基丁基)苯并噻唑鎓