TL;DR: 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(2-naphthalenylmethylene)-, (Z)- (CAS 130689-03-1) is a chemical compound with molecular formula C20H14OS and molecular weight 302.07654 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-3-(naphthalen-2-ylmethylidene)thiochromen-4-one
Also Known As: (Z)-2,3-Dihydro-3-(2-naphthalenylmethylene)-4H-1-benzothiopyran-4-one, (3Z)-3-(naphthalen-2-ylmethylidene)thiochromen-4-one, (3Z)-3-(2-naphthylmethylene)thiochroman-4-one, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(2-naphthalenylmethylene)-, (Z)-, 4H-1-benzothiopyran-4-one, 2,3-dihydro-3-(2-naphthalenylmethylene)-, (3Z)-
| Molecular Formula | C20H14OS |
| Molecular Weight | 302.07654 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.07654 Da |
| Heavy Atoms | 22 |
| Complexity | 455.0 |
| SMILES | C1/C(=C\C2=CC3=CC=CC=C3C=C2)/C(=O)C4=CC=CC=C4S1 |
| InChIKey | SNJOBXKJBZNHTE-SFQUDFHCSA-N |
The XLogP value of 5.1 indicates that 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(2-naphthalenylmethylene)-, (Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(2-naphthalenylmethylene)-, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(2-naphthalenylmethylene)-, (Z)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(2-naphthalenylmethylene)-, (Z)- is 130689-03-1.
The molecular formula of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(2-naphthalenylmethylene)-, (Z)- is C20H14OS.
The molecular weight of 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(2-naphthalenylmethylene)-, (Z)- is 302.07654 g/mol.
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