RefChem:340417
1,1-dioxo-2-[4-(2-sulfanylethylamino)butyl]-1,2-benzothiazol-3-one;hydrobromide
Also Known As: 2-Brom-6-methoxybenzoesaeure|Ethanethiol, 2-(4-(3-oxo-1,2-benzisothiazolin-2-yl)butylamino)-, S,S-dioxide, hydrobromide|2-(4-(3-Oxo-1,2-benzisothiazolin-2-yl)butylamino)ethanethiol, S,S-dioxide, hydrogen bromide|2-{4-[(2-sulfanylethyl)amino]butyl}-1,2-benzothiazol-3(2h)-one 1,1-dioxide hydrobromide(1:1)|1,1-dioxo-2-[4-(2-sulfanylethylamino)butyl]-1,2-benzothiazol-3-one hydrobromide|1,1-dioxo-2-[4-(2-sulfanylethylamino)butyl]-1,2-benzothiazol-3-one,hydrobromide|1,2-Benzisothiazol-3(2H)-one,2-[4-[(2-mercaptoethyl)amino]butyl]-, 1,1-dioxide, hydrobromide (1:1)|1,2-Benzisothiazolin-3-one, 2-[4-[(2-mercaptoethyl)amino]butyl]-, 1,1-dioxide, monohydrobromide|2-{4-[(2-Sulfanylethyl)amino]butyl}-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione--hydrogen bromide (1/1)
| Molecular Formula | C13H19BrN2O3S2 |
|---|---|
| Molecular Weight | 394.00204 g/mol |
| LogP | 1.7086 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.00204 |
| Monoisotopic Mass | 394.00204 |
| Heavy Atoms | 21 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 367-87-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCCNCCS.Br |
| InChIKey | WZOHVOAHMABJFY-UHFFFAOYSA-N |
Product Overview
RefChem:340417 (CAS 367-87-3), with molecular formula C13H19BrN2O3S2 and molecular weight 394.00204 g/mol. IUPAC: 1,1-dioxo-2-[4-(2-sulfanylethylamino)butyl]-1,2-benzothiazol-3-one;hydrobromide.