2-{[(4-iodophenyl)methyl]sulfanyl}-6-nitro-1,3-benzothiazole
Chemical Structure Depiction of
2-{[(4-iodophenyl)methyl]sulfanyl}-6-nitro-1,3-benzothiazole
2-{[(4-iodophenyl)methyl]sulfanyl}-6-nitro-1,3-benzothiazole
Compound characteristics
| Compound ID: | 8007-7002 |
| Compound Name: | 2-{[(4-iodophenyl)methyl]sulfanyl}-6-nitro-1,3-benzothiazole |
| Molecular Weight: | 428.27 |
| Molecular Formula: | C14 H9 I N2 O2 S2 |
| Smiles: | C(c1ccc(cc1)I)Sc1nc2ccc(cc2s1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6272 |
| logD: | 5.6272 |
| logSw: | -5.8993 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.43 |
| InChI Key: | IFQUXRXKMKJWQH-UHFFFAOYSA-N |