2-[(1,3-benzothiazol-2-yl)sulfanyl]-5-(dodecylsulfanyl)cyclohexa-2,5-diene-1,4-dione
Chemical Structure Depiction of
2-[(1,3-benzothiazol-2-yl)sulfanyl]-5-(dodecylsulfanyl)cyclohexa-2,5-diene-1,4-dione
2-[(1,3-benzothiazol-2-yl)sulfanyl]-5-(dodecylsulfanyl)cyclohexa-2,5-diene-1,4-dione
Compound characteristics
| Compound ID: | 0104-0046 |
| Compound Name: | 2-[(1,3-benzothiazol-2-yl)sulfanyl]-5-(dodecylsulfanyl)cyclohexa-2,5-diene-1,4-dione |
| Molecular Weight: | 473.72 |
| Molecular Formula: | C25 H31 N O2 S3 |
| Smiles: | CCCCCCCCCCCCSC1=CC(C(=CC1=O)Sc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 9.3059 |
| logD: | 9.3059 |
| logSw: | -5.8609 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 35.736 |
| InChI Key: | RQJFEVYUVCOMMS-UHFFFAOYSA-N |