7-(butylsulfanyl)-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
7-(butylsulfanyl)-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-(butylsulfanyl)-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D035-0095 |
| Compound Name: | 7-(butylsulfanyl)-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 256.35 |
| Molecular Formula: | C9 H12 N4 O S2 |
| Smiles: | CCCCSC1=NN2C(=NN=C(C)C2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.1348 |
| logD: | 3.1274 |
| logSw: | -2.9066 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.961 |
| InChI Key: | WKUFPYCWRQCVFR-UHFFFAOYSA-N |