3-(benzylamino)-1-(methylsulfanyl)-1-sulfanylidene-1,5,6,7-tetrahydro-1lambda~5~-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile
Chemical Structure Depiction of
3-(benzylamino)-1-(methylsulfanyl)-1-sulfanylidene-1,5,6,7-tetrahydro-1lambda~5~-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile
3-(benzylamino)-1-(methylsulfanyl)-1-sulfanylidene-1,5,6,7-tetrahydro-1lambda~5~-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile
Compound characteristics
| Compound ID: | 8018-3230 |
| Compound Name: | 3-(benzylamino)-1-(methylsulfanyl)-1-sulfanylidene-1,5,6,7-tetrahydro-1lambda~5~-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile |
| Molecular Weight: | 348.43 |
| Molecular Formula: | C15 H17 N4 P S2 |
| Smiles: | CSP1(N=C(C(C#N)=C2CCCN12)NCc1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 2.5411 |
| logD: | 2.5319 |
| logSw: | -2.4949 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.771 |
| InChI Key: | BTXKKXLGGWVRIW-FQEVSTJZSA-N |