3-(4-chlorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidine-5-thiolate
Chemical Structure Depiction of
3-(4-chlorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidine-5-thiolate
3-(4-chlorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidine-5-thiolate
Compound characteristics
| Compound ID: | C200-7037 |
| Compound Name: | 3-(4-chlorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidine-5-thiolate |
| Molecular Weight: | 349.81 |
| Molecular Formula: | C11 H5 Cl N3 O S3 |
| Salt: | Na+ |
| Smiles: | c1cc(ccc1N1C2=C(C(NC(=N2)[S-])=O)SC1=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.4709 |
| logD: | 2.4708 |
| logSw: | -3.3885 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.528 |
| InChI Key: | CVPWMOMSDZIRIP-UHFFFAOYSA-M |