TL;DR: (Quinolin-2-ylmethylideneamino)thiourea (CAS 1177407-17-8) is a chemical compound with molecular formula C11H10N4S and molecular weight 230.06262 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-quinolin-2-ylmethylideneamino]thiourea
Also Known As: (quinolin-2-ylmethylideneamino)thiourea, 2-Formylquinoline thiosemicarbazone, [(E)-2-quinolylmethyleneamino]thiourea, [(E)-quinolin-2-ylmethylideneamino]thiourea, 2-quinolinecarbaldehyde thiosemicarbazone
| Molecular Formula | C11H10N4S |
| Molecular Weight | 230.06262 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 95.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.06262 Da |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)/C=N/NC(=S)N |
| InChIKey | GQSVPIHNHFNXNY-NTUHNPAUSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Quinolin-2-ylmethylideneamino)thiourea. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (Quinolin-2-ylmethylideneamino)thiourea. Following Lipinski's Rule of Five, (Quinolin-2-ylmethylideneamino)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 (Quinolin-2-ylmethylideneamino)thiourea is 1177407-17-8.
The molecular formula of (Quinolin-2-ylmethylideneamino)thiourea is C11H10N4S.
The molecular weight of (Quinolin-2-ylmethylideneamino)thiourea is 230.06262 g/mol.
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