(2Z)-2-{(1R*,2S*,5R*)-2-[(5-tert-butyl-2-methylphenyl)sulfanyl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide
Chemical Structure Depiction of
(2Z)-2-{(1R*,2S*,5R*)-2-[(5-tert-butyl-2-methylphenyl)sulfanyl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide
(2Z)-2-{(1R*,2S*,5R*)-2-[(5-tert-butyl-2-methylphenyl)sulfanyl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | 8015-9696 |
| Compound Name: | (2Z)-2-{(1R*,2S*,5R*)-2-[(5-tert-butyl-2-methylphenyl)sulfanyl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene}hydrazine-1-carbothioamide |
| Molecular Weight: | 379.54 |
| Molecular Formula: | C18 H25 N3 O2 S2 |
| Smiles: | Cc1ccc(cc1S[C@@H]1C/C([C@H]2OC[C@@H]1O2)=N/NC(N)=S)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.4856 |
| logD: | 4.4856 |
| logSw: | -4.4016 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 58.88 |
| InChI Key: | IWSHBYRABQSLRS-FVQBIDKESA-N |