N-methylmethanaminium--4,5,6-trichloro-2-sulfanylidene-2H-1,3-benzoxazol-3-ide (1/1)
Chemical Structure Depiction of
N-methylmethanaminium--4,5,6-trichloro-2-sulfanylidene-2H-1,3-benzoxazol-3-ide (1/1)
N-methylmethanaminium--4,5,6-trichloro-2-sulfanylidene-2H-1,3-benzoxazol-3-ide (1/1)
Compound characteristics
| Compound ID: | 0245-0155 |
| Compound Name: | N-methylmethanaminium--4,5,6-trichloro-2-sulfanylidene-2H-1,3-benzoxazol-3-ide (1/1) |
| Molecular Weight: | 299.6 |
| Molecular Formula: | C7 H Cl3 N O S |
| Salt: | (CH3)2NH2+ |
| Smiles: | c1c2c(c(c(c1[Cl])[Cl])[Cl])[N-]C(O2)=S |
| Stereo: | ACHIRAL |
| logP: | 3.5547 |
| logD: | 3.5547 |
| logSw: | -4.4994 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 18.3569 |
| InChI Key: | LYAOHUVQTBMDDG-UHFFFAOYSA-M |