TL;DR: Dinaphthalen-2-yloxymethanethione (CAS 127084-74-6) is a chemical compound with molecular formula C21H14O2S and molecular weight 330.07144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dinaphthalen-2-yloxymethanethione
Also Known As: dinaphthalen-2-yloxymethanethione, Tolnaftate EP Impurity B, Dimethyl-thiocarbamidsaeure, Tolnaftate impurity B [EP], O,O-Di-2-Naphthalenyl Ester Carbonothioic Acid
| Molecular Formula | C21H14O2S |
| Molecular Weight | 330.07144 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.07144 Da |
| Heavy Atoms | 24 |
| Complexity | 400.0 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)OC(=S)OC3=CC4=CC=CC=C4C=C3 |
| InChIKey | GJSWKYAOWCAEBJ-UHFFFAOYSA-N |
The XLogP value of 6.7 indicates that Dinaphthalen-2-yloxymethanethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Dinaphthalen-2-yloxymethanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dinaphthalen-2-yloxymethanethione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dinaphthalen-2-yloxymethanethione is 127084-74-6.
The molecular formula of Dinaphthalen-2-yloxymethanethione is C21H14O2S.
The molecular weight of Dinaphthalen-2-yloxymethanethione is 330.07144 g/mol.
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