TL;DR: (3-chlorobenzo[g]benzo[b]thiophen-2-yl)-N-(4-(trifluoromethylthio)phenyl)formamide (CAS 1024316-70-8) is a chemical compound with molecular formula C20H11ClF3NOS2 and molecular weight 436.99228 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]benzo[g][1]benzothiole-2-carboxamide
Also Known As: (3-chlorobenzo[g]benzo[b]thiophen-2-yl)-N-(4-(trifluoromethylthio)phenyl)formamide, 3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]benzo[g][1]benzothiole-2-carboxamide, 3-Chloro-N-(4-((trifluoromethyl)thio)phenyl)naphtho[1,2-b]thiophene-2-carboxamide, 3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]benzo[g]benzothiophene-2-carboxamide, 3-chloro-N-{4-[(trifluoromethyl)sulfanyl]phenyl}naphtho[1,2-b]thiophene-2-carboxamide
| Molecular Formula | C20H11ClF3NOS2 |
| Molecular Weight | 436.99228 g/mol |
| XLogP | 7.7 |
| Topological Polar Surface Area (TPSA) | 82.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.99228 Da |
| Heavy Atoms | 28 |
| Complexity | 570.0 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C2SC(=C3Cl)C(=O)NC4=CC=C(C=C4)SC(F)(F)F |
| InChIKey | WVVFKYWYEWZCGD-UHFFFAOYSA-N |
The XLogP value of 7.7 indicates that (3-chlorobenzo[g]benzo[b]thiophen-2-yl)-N-(4-(trifluoromethylthio)phenyl)formamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-chlorobenzo[g]benzo[b]thiophen-2-yl)-N-(4-(trifluoromethylthio)phenyl)formamide. Following Lipinski's Rule of Five, (3-chlorobenzo[g]benzo[b]thiophen-2-yl)-N-(4-(trifluoromethylthio)phenyl)formamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (3-chlorobenzo[g]benzo[b]thiophen-2-yl)-N-(4-(trifluoromethylthio)phenyl)formamide is 1024316-70-8.
The molecular formula of (3-chlorobenzo[g]benzo[b]thiophen-2-yl)-N-(4-(trifluoromethylthio)phenyl)formamide is C20H11ClF3NOS2.
The molecular weight of (3-chlorobenzo[g]benzo[b]thiophen-2-yl)-N-(4-(trifluoromethylthio)phenyl)formamide is 436.99228 g/mol.
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