TL;DR: [(E)-(3-hydroxyphenyl)methylideneamino]thiourea (CAS 1334180-04-9) is a chemical compound with molecular formula C8H9N3OS and molecular weight 195.04663 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-(3-hydroxyphenyl)methylideneamino]thiourea
Also Known As: 3-hydroxybenzaldehyde thiosemicarbazone, 3-Hydroxybenzaldehydethiosemicarbazone, m-Hydroxybenzaldehydethiosemicarbazone, [(E)-(3-hydroxyphenyl)methylideneamino]thiourea, 3-hydroxy-benzaldehyde thiosemicarbazone
| Molecular Formula | C8H9N3OS |
| Molecular Weight | 195.04663 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.04663 Da |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
| SMILES | C1=CC(=CC(=C1)O)/C=N/NC(=S)N |
| InChIKey | OUKYJMFNAHUPKE-BJMVGYQFSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(E)-(3-hydroxyphenyl)methylideneamino]thiourea. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(E)-(3-hydroxyphenyl)methylideneamino]thiourea. Following Lipinski's Rule of Five, [(E)-(3-hydroxyphenyl)methylideneamino]thiourea has 3 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)-(3-hydroxyphenyl)methylideneamino]thiourea is 1334180-04-9.
The molecular formula of [(E)-(3-hydroxyphenyl)methylideneamino]thiourea is C8H9N3OS.
The molecular weight of [(E)-(3-hydroxyphenyl)methylideneamino]thiourea is 195.04663 g/mol.
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