S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate
Chemical Structure Depiction of
S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate
S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate
Compound characteristics
| Compound ID: | 0167-0090 |
| Compound Name: | S-[1-(1H-indol-3-yl)-2-nitroethyl] ethanethioate |
| Molecular Weight: | 264.3 |
| Molecular Formula: | C12 H12 N2 O3 S |
| Smiles: | CC(=O)SC(C[N+]([O-])=O)c1c[nH]c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3466 |
| logD: | 2.2887 |
| logSw: | -2.7233 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.117 |
| InChI Key: | DMTCSKCHGTYXQR-LBPRGKRZSA-N |