2-amino-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrole-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrole-3-carbonitrile
2-amino-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrole-3-carbonitrile
Compound characteristics
| Compound ID: | 8019-4497 |
| Compound Name: | 2-amino-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrole-3-carbonitrile |
| Molecular Weight: | 195.28 |
| Molecular Formula: | C9 H13 N3 S |
| Smiles: | Cc1c(C#N)c(N)[nH]c1CCSC |
| Stereo: | ACHIRAL |
| logP: | 1.2476 |
| logD: | 1.2476 |
| logSw: | -1.4062 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 48.891 |
| InChI Key: | QNWSCQLEWSLNIA-UHFFFAOYSA-N |