but-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2)
Chemical Structure Depiction of
but-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2)
but-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | 1749-0047 |
| Compound Name: | but-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2) |
| Molecular Weight: | 275.22 |
| Molecular Formula: | C6 H10 N4 S2 |
| Salt: | 2HCl |
| Smiles: | C(C#CCSC(N)=N)SC(N)=N |
| Stereo: | ACHIRAL |
| logP: | -0.245 |
| logD: | -2.3263 |
| logSw: | -0.5953 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 80.052 |
| InChI Key: | AIVVCKWVKOVJEV-UHFFFAOYSA-N |