TL;DR: 2-Thiazoline, 2-((2-(dibutylamino)ethyl)thio)- (CAS 100528-38-9) is a chemical compound with molecular formula C13H26N2S2 and molecular weight 274.15375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-butyl-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]butan-1-amine
Also Known As: 2-(Dibutylaminoethylmercapto)-2-thiazoline, 2-Thiazoline, 2-((2-(dibutylamino)ethyl)thio)-, 2-((2-(Dibutylamino)ethyl)thio)-2-thiazoline, N-butyl-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]butan-1-amine, N-Butyl-N-{2-[(4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]ethyl}butan-1-amine
| Molecular Formula | C13H26N2S2 |
| Molecular Weight | 274.15375 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 274.15375 Da |
| Heavy Atoms | 17 |
| Complexity | 211.0 |
| SMILES | CCCCN(CCCC)CCSC1=NCCS1 |
| InChIKey | PNHKBVFFCCPDBF-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 2-Thiazoline, 2-((2-(dibutylamino)ethyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiazoline, 2-((2-(dibutylamino)ethyl)thio)-. Following Lipinski's Rule of Five, 2-Thiazoline, 2-((2-(dibutylamino)ethyl)thio)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Thiazoline, 2-((2-(dibutylamino)ethyl)thio)- is 100528-38-9.
The molecular formula of 2-Thiazoline, 2-((2-(dibutylamino)ethyl)thio)- is C13H26N2S2.
The molecular weight of 2-Thiazoline, 2-((2-(dibutylamino)ethyl)thio)- is 274.15375 g/mol.
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