TL;DR: [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea (CAS 1431551-98-2) is a chemical compound with molecular formula C12H15N3OS and molecular weight 249.09358 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea
Also Known As: 7-methoxy-tetral-4-one thiosemicarbazone, BRD-K66095285-001-01-0, [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea
| Molecular Formula | C12H15N3OS |
| Molecular Weight | 249.09358 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.09358 Da |
| Heavy Atoms | 17 |
| Complexity | 319.0 |
| SMILES | COC1=CC2=C(C=C1)/C(=N/NC(=S)N)/CCC2 |
| InChIKey | UYVZDOVUTIYERR-SDNWHVSQSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea. Following Lipinski's Rule of Five, [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea is 1431551-98-2.
The molecular formula of [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea is C12H15N3OS.
The molecular weight of [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]thiourea is 249.09358 g/mol.
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