TL;DR: 2-[(4-Chlorophenyl)methylene]-N-methylhydrazinecarbothioamide (CAS 10444-72-1) is a chemical compound with molecular formula C9H10ClN3S and molecular weight 227.0284 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(E)-(4-chlorophenyl)methylideneamino]-3-methylthiourea
Also Known As: AB01322606-02, 1-[(E)-(4-chlorophenyl)methyleneamino]-3-methyl-thiourea, 1-[(E)-(4-chlorophenyl)methylideneamino]-3-methylthiourea, 2-[(4-Chlorophenyl)methylene]-N-methylhydrazinecarbothioamide, p-Chlorobenzaldehyde 4-methyl-3-thiosemicarbazone; 1-(p-chlorobenzylidene)-4-methyl-3-thiosemicarbazide
| Molecular Formula | C9H10ClN3S |
| Molecular Weight | 227.0284 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 68.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.0284 Da |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
| SMILES | CNC(=S)N/N=C/C1=CC=C(C=C1)Cl |
| InChIKey | KNTLKQWLUICMMA-WUXMJOGZSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Chlorophenyl)methylene]-N-methylhydrazinecarbothioamide. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Chlorophenyl)methylene]-N-methylhydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-[(4-Chlorophenyl)methylene]-N-methylhydrazinecarbothioamide 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 2-[(4-Chlorophenyl)methylene]-N-methylhydrazinecarbothioamide is 10444-72-1.
The molecular formula of 2-[(4-Chlorophenyl)methylene]-N-methylhydrazinecarbothioamide is C9H10ClN3S.
The molecular weight of 2-[(4-Chlorophenyl)methylene]-N-methylhydrazinecarbothioamide is 227.0284 g/mol.
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