3-[(3-methylbutyl)amino]-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-[(3-methylbutyl)amino]-1-(methylsulfanyl)-1-sulfanylidene-1,5,6,7-tetrahydro-1lambda~5~-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile
3-[(3-methylbutyl)amino]-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: | 8018-5718 |
| Compound Name: | 3-[(3-methylbutyl)amino]-1-(methylsulfanyl)-1-sulfanylidene-1,5,6,7-tetrahydro-1lambda~5~-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile |
| Molecular Weight: | 328.44 |
| Molecular Formula: | C13 H21 N4 P S2 |
| Smiles: | CC(C)CCNC1C(C#N)=C2CCCN2P(N=1)(=S)SC |
| Stereo: | ACHIRAL |
| logP: | 2.7986 |
| logD: | 2.7979 |
| logSw: | -3.1511 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.884 |
| InChI Key: | FRAUSJBSAZDPLW-SFHVURJKSA-N |