3-[2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonic acid--N,N-diethylethanamine (1/1)
Chemical Structure Depiction of
3-[2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonic acid--N,N-diethylethanamine (1/1)
3-[2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonic acid--N,N-diethylethanamine (1/1)
Compound characteristics
| Compound ID: | 8009-2678 |
| Compound Name: | 3-[2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonic acid--N,N-diethylethanamine (1/1) |
| Molecular Weight: | 503.72 |
| Molecular Formula: | C14 H14 N2 O4 S4 |
| Salt: | (C2H5)3N |
| Smiles: | CN1C(\C(=C2/N(CCCS(O)(=O)=O)c3ccccc3S2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7544 |
| logD: | -8.6719 |
| logSw: | -1.9459 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.926 |
| InChI Key: | WFDCJWFAOPTBSO-QBFSEMIESA-N |