2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole
Chemical Structure Depiction of
2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole
2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole
Compound characteristics
| Compound ID: | 8003-3869 |
| Compound Name: | 2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole |
| Molecular Weight: | 302.37 |
| Molecular Formula: | C14 H10 N2 O2 S2 |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4495 |
| logD: | 4.4495 |
| logSw: | -4.5672 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.43 |
| InChI Key: | LLIQPZZJZQYJNR-UHFFFAOYSA-N |