TL;DR: Stannane, isothiocyanatotriphenyl- (CAS 1954-34-3) is a chemical compound with molecular formula C19H15NSSn and molecular weight 408.99472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
isothiocyanato(triphenyl)stannane
Also Known As: Isothiocyanatotriphenylstannane, Stannane, isothiocyanatotriphenyl-, triphenyltin isothiocyanate, Triphenylstannyl isothiocyanate, isothiocyanato(triphenyl)stannane
| Molecular Formula | C19H15NSSn |
| Molecular Weight | 408.99472 g/mol |
| XLogP | 2.76 |
| Topological Polar Surface Area (TPSA) | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.99472 Da |
| Heavy Atoms | 22 |
| Complexity | 341.0 |
| SMILES | C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)N=C=S |
| InChIKey | PDIXLDXMKRMGTK-UHFFFAOYSA-N |
The XLogP value of 2.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Stannane, isothiocyanatotriphenyl-. With a topological polar surface area (TPSA) of 44.5 Ų, Stannane, isothiocyanatotriphenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Stannane, isothiocyanatotriphenyl- 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 Stannane, isothiocyanatotriphenyl- is 1954-34-3.
The molecular formula of Stannane, isothiocyanatotriphenyl- is C19H15NSSn.
The molecular weight of Stannane, isothiocyanatotriphenyl- is 408.99472 g/mol.
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