TL;DR: Thiomorpholine, 4-(2-chloroethyl)- (CAS 63906-73-0) is a chemical compound with molecular formula C6H12ClNS and molecular weight 165.0379 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-chloroethyl)thiomorpholine
Also Known As: 4-(2-Chloroethyl)thiomorpholine, Thiomorpholine, 4-(2-chloroethyl)-, N-(beta-Chloroethylthiomorpholine), TL 326, Thiamorpholine, 4-(2-chloroethyl)-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H12ClNS |
| Molecular Weight | 165.0379 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.0379 Da |
| Heavy Atoms | 9 |
| Complexity | 73.0 |
| SMILES | C1CSCCN1CCCl |
| InChIKey | FZAWPBDFRQGFGZ-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiomorpholine, 4-(2-chloroethyl)-. With a topological polar surface area (TPSA) of 28.5 Ų, Thiomorpholine, 4-(2-chloroethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiomorpholine, 4-(2-chloroethyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Thiomorpholine, 4-(2-chloroethyl)- is 63906-73-0.
The molecular formula of Thiomorpholine, 4-(2-chloroethyl)- is C6H12ClNS.
The molecular weight of Thiomorpholine, 4-(2-chloroethyl)- is 165.0379 g/mol.
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