TL;DR: [(E)-(5-nitrothiophen-2-yl)methylideneamino]thiourea (CAS 1309762-09-1) is a chemical compound with molecular formula C6H6N4O2S2 and molecular weight 229.99323 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-(5-nitrothiophen-2-yl)methylideneamino]thiourea
Also Known As: Hg\dQDpmNpBNBMf~RYue^eViijYAAP, 5-nitro-2-thiophenecarbaldehyde thiosemicarbazone, [(E)-(5-nitrothiophen-2-yl)methylideneamino]thiourea, AN-329/40183930, AB01325837-02
| Molecular Formula | C6H6N4O2S2 |
| Molecular Weight | 229.99323 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.99323 Da |
| Heavy Atoms | 14 |
| Complexity | 265.0 |
| SMILES | C1=C(SC(=C1)[N+](=O)[O-])/C=N/NC(=S)N |
| InChIKey | ASTVIOLHJJWJMJ-FPYGCLRLSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(E)-(5-nitrothiophen-2-yl)methylideneamino]thiourea. The TPSA of 157.0 Ų indicates high polarity, suggesting [(E)-(5-nitrothiophen-2-yl)methylideneamino]thiourea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [(E)-(5-nitrothiophen-2-yl)methylideneamino]thiourea has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [(E)-(5-nitrothiophen-2-yl)methylideneamino]thiourea is 1309762-09-1.
The molecular formula of [(E)-(5-nitrothiophen-2-yl)methylideneamino]thiourea is C6H6N4O2S2.
The molecular weight of [(E)-(5-nitrothiophen-2-yl)methylideneamino]thiourea is 229.99323 g/mol.
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