3-{[2-(tert-butylsulfanyl)ethyl]amino}-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-{[2-(tert-butylsulfanyl)ethyl]amino}-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-{[2-(tert-butylsulfanyl)ethyl]amino}-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8006-3822 |
| Compound Name: | 3-{[2-(tert-butylsulfanyl)ethyl]amino}-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 343.42 |
| Molecular Formula: | C13 H17 N3 O4 S2 |
| Smiles: | CC(C)(C)SCCNC1c2ccc(cc2S(N=1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.121 |
| logD: | 2.1209 |
| logSw: | -3.0057 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.661 |
| InChI Key: | SITRWGOJABTOCX-UHFFFAOYSA-N |