TL;DR: 4H-Cyclopenta[c]thiophene-4-one,3-dichloro-5,6-dihydro-, hydrochloride (CAS 147521-38-8) is a chemical compound with molecular formula C7H6Cl3NOS and molecular weight 256.92355 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one;hydrochloride
Also Known As: 4H-Cyclopenta[c]thiophene-4-one,3-dichloro-5,6-dihydro-, hydrochloride, 6-Amino-1,3-dichloro-5,6-dihydro-4H-cyclopenta[c]thiophen-4-one hydrochloride, 6-amino-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one hydrochloride, 4H-Cyclopenta[c]thiophene-4-one, 6-amino- 1,3-dichloro-5, 6-dihydro-, hydrochloride
| Molecular Formula | C7H6Cl3NOS |
| Molecular Weight | 256.92355 g/mol |
| XLogP | 3.0629 |
| Topological Polar Surface Area (TPSA) | 71.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.92355 Da |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
| SMILES | C1C(C2=C(SC(=C2C1=O)Cl)Cl)N.Cl |
| InChIKey | QUFODXVQEAEWKE-UHFFFAOYSA-N |
The XLogP value of 3.0629 indicates that 4H-Cyclopenta[c]thiophene-4-one,3-dichloro-5,6-dihydro-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-Cyclopenta[c]thiophene-4-one,3-dichloro-5,6-dihydro-, hydrochloride. Following Lipinski's Rule of Five, 4H-Cyclopenta[c]thiophene-4-one,3-dichloro-5,6-dihydro-, hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4H-Cyclopenta[c]thiophene-4-one,3-dichloro-5,6-dihydro-, hydrochloride is 147521-38-8.
The molecular formula of 4H-Cyclopenta[c]thiophene-4-one,3-dichloro-5,6-dihydro-, hydrochloride is C7H6Cl3NOS.
The molecular weight of 4H-Cyclopenta[c]thiophene-4-one,3-dichloro-5,6-dihydro-, hydrochloride is 256.92355 g/mol.
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