TL;DR: [(E)-naphthalen-1-ylmethylideneamino]thiourea (CAS 1262239-10-0) is a chemical compound with molecular formula C12H11N3S and molecular weight 229.06737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-naphthalen-1-ylmethylideneamino]thiourea
Also Known As: 1-naphthaldehyde thiosemicarbazone, [(E)-naphthalen-1-ylmethylideneamino]thiourea, (naphthalen-1-ylmethylideneamino)thiourea, 1-(1-Naphthylmethylene)thiosemicarbazide, 1-(N-(1-Naphthylmethylene)amino)thiourea
| Molecular Formula | C12H11N3S |
| Molecular Weight | 229.06737 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.06737 Da |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2/C=N/NC(=S)N |
| InChIKey | LPGXRPAESUOQHF-RIYZIHGNSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(E)-naphthalen-1-ylmethylideneamino]thiourea. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [(E)-naphthalen-1-ylmethylideneamino]thiourea. Following Lipinski's Rule of Five, [(E)-naphthalen-1-ylmethylideneamino]thiourea has 2 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 [(E)-naphthalen-1-ylmethylideneamino]thiourea is 1262239-10-0.
The molecular formula of [(E)-naphthalen-1-ylmethylideneamino]thiourea is C12H11N3S.
The molecular weight of [(E)-naphthalen-1-ylmethylideneamino]thiourea is 229.06737 g/mol.
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