TL;DR: (2E)-2-[(4-Ethylphenyl)methylene]hydrazinecarbothioamide (CAS 1334179-95-1) is a chemical compound with molecular formula C10H13N3S and molecular weight 207.08302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-(4-ethylphenyl)methylideneamino]thiourea
Also Known As: 1-(4-Ethylbenzylidene)thiosemicarbazide, {[(4-ethylphenyl)methylidene]amino}thiourea, [(E)-(4-ethylphenyl)methylideneamino]thiourea, J2.579.405B, (2E)-2-[(4-Ethylphenyl)methylene]hydrazinecarbothioamide
| Molecular Formula | C10H13N3S |
| Molecular Weight | 207.08302 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.08302 Da |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
| SMILES | CCC1=CC=C(C=C1)/C=N/NC(=S)N |
| InChIKey | GHYBFTMRZWJKKV-KPKJPENVSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-[(4-Ethylphenyl)methylene]hydrazinecarbothioamide. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-[(4-Ethylphenyl)methylene]hydrazinecarbothioamide. Following Lipinski's Rule of Five, (2E)-2-[(4-Ethylphenyl)methylene]hydrazinecarbothioamide 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 (2E)-2-[(4-Ethylphenyl)methylene]hydrazinecarbothioamide is 1334179-95-1.
The molecular formula of (2E)-2-[(4-Ethylphenyl)methylene]hydrazinecarbothioamide is C10H13N3S.
The molecular weight of (2E)-2-[(4-Ethylphenyl)methylene]hydrazinecarbothioamide is 207.08302 g/mol.
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