TL;DR: Hydrazinecarbothioamide, 2-[1-(2-naphthalenyl)ethylidene]- (CAS 133477-39-1) is a chemical compound with molecular formula C13H13N3S and molecular weight 243.08302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-naphthalen-2-ylethylideneamino)thiourea
Also Known As: 2-AcNaphthiosemicarbazone, (1-naphthalen-2-ylethylideneamino)thiourea, 2-acetylnaphthalene thiosemicarbazone, Hydrazinecarbothioamide, 2-[1-(2-naphthalenyl)ethylidene]-, NCI60_001717
| Molecular Formula | C13H13N3S |
| Molecular Weight | 243.08302 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.08302 Da |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
| SMILES | CC(=NNC(=S)N)C1=CC2=CC=CC=C2C=C1 |
| InChIKey | PMXAAMWMXCVPGX-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydrazinecarbothioamide, 2-[1-(2-naphthalenyl)ethylidene]-. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydrazinecarbothioamide, 2-[1-(2-naphthalenyl)ethylidene]-. Following Lipinski's Rule of Five, Hydrazinecarbothioamide, 2-[1-(2-naphthalenyl)ethylidene]- 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 Hydrazinecarbothioamide, 2-[1-(2-naphthalenyl)ethylidene]- is 133477-39-1.
The molecular formula of Hydrazinecarbothioamide, 2-[1-(2-naphthalenyl)ethylidene]- is C13H13N3S.
The molecular weight of Hydrazinecarbothioamide, 2-[1-(2-naphthalenyl)ethylidene]- is 243.08302 g/mol.
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