3,5-bis{[(4-bromophenyl)methyl]sulfanyl}-1,2-thiazole-4-carbonitrile
Chemical Structure Depiction of
3,5-bis{[(4-bromophenyl)methyl]sulfanyl}-1,2-thiazole-4-carbonitrile
3,5-bis{[(4-bromophenyl)methyl]sulfanyl}-1,2-thiazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2680-0354 |
| Compound Name: | 3,5-bis{[(4-bromophenyl)methyl]sulfanyl}-1,2-thiazole-4-carbonitrile |
| Molecular Weight: | 512.3 |
| Molecular Formula: | C18 H12 Br2 N2 S3 |
| Smiles: | C(c1ccc(cc1)[Br])Sc1c(C#N)c(SCc2ccc(cc2)[Br])sn1 |
| Stereo: | ACHIRAL |
| logP: | 6.6985 |
| logD: | 6.6985 |
| logSw: | -6.3486 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.3745 |
| InChI Key: | ISPMELLTMVKJRE-UHFFFAOYSA-N |