TL;DR: 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(2-thiazolyl)- (CAS 54627-06-4) is a chemical compound with molecular formula C9H6N2O2S3 and molecular weight 269.95914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(1,3-thiazol-2-yl)-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
Also Known As: RA(sub 16), p-Dithiin-2,3-dicarboximide, 5,6-dihydro-N-(2-thiazolyl)-, 5H-1,4-DITHIINO(2,3-c)PYRROLE-5,7(6H)-DIONE, 2,3-DIHYDRO-6-(2-THIAZOLYL)-, 2,3-Dihydro-6-(2-thiazolyl)-5H-1,4-dithiino(2,3-c)pyrrole-5,7(6H)-dione, 6-(1,3-thiazol-2-yl)-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
| Molecular Formula | C9H6N2O2S3 |
| Molecular Weight | 269.95914 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.95914 Da |
| Heavy Atoms | 16 |
| Complexity | 368.0 |
| SMILES | C1CSC2=C(S1)C(=O)N(C2=O)C3=NC=CS3 |
| InChIKey | QWLIYNKDFYYMFJ-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(2-thiazolyl)-. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(2-thiazolyl)-. Following Lipinski's Rule of Five, 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(2-thiazolyl)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(2-thiazolyl)- is 54627-06-4.
The molecular formula of 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(2-thiazolyl)- is C9H6N2O2S3.
The molecular weight of 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(2-thiazolyl)- is 269.95914 g/mol.
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