Upujutoigkmzba-uhfffaoysa-
3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium
Also Known As: UPUJUTOIGKMZBA-UHFFFAOYSA-|2,5-Dimethyl-3-ethylbenzothiazole-3-ium|3-Ethyl-2,5-dimethylbenzothiazolium|3-Ethyl-2,5-dimethylbenzothiazol-3-ium|3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium|Benzothiazolium, 3-ethyl-2,5-dimethyl-, p-toluenesulfonate|Benzothiazolium, 3-ethyl-2,5-dimethyl-, 4-methylbenzenesulfonate (1:1)|Benzothiazolium, 3-ethyl-2,5-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)
| Molecular Formula | C11H14NS+ |
|---|---|
| Molecular Weight | 192.0847 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.0847 |
| Monoisotopic Mass | 192.0847 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 42379-67-9 |
|---|---|
| SMILES | CC[N+]1=C(SC2=C1C=C(C=C2)C)C |
| InChIKey | UPUJUTOIGKMZBA-UHFFFAOYSA-N |
Product Overview
Upujutoigkmzba-uhfffaoysa- (CAS 42379-67-9), with molecular formula C11H14NS+ and molecular weight 192.0847 g/mol. IUPAC: 3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium.
Upujutoigkmzba-uhfffaoysa- is a custom synthesis product. We offer services from milligram to kilogram scale.
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