TL;DR: [(E)-(2,3-dichlorophenyl)methylideneamino]thiourea (CAS 1422956-01-1) is a chemical compound with molecular formula C8H7Cl2N3S and molecular weight 246.97377 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-(2,3-dichlorophenyl)methylideneamino]thiourea
Also Known As: 2,3-dichlorobenzaldehyde thiosemicarbazone, [(E)-(2,3-dichlorophenyl)methylideneamino]thiourea, J3.196.632I, AB01321488-02, 1-[(E)-2,3-Dichlorobenzylidene]thiosemicarbazide
| Molecular Formula | C8H7Cl2N3S |
| Molecular Weight | 246.97377 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.97377 Da |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)/C=N/NC(=S)N |
| InChIKey | MUEBZTOJMDYECK-UUILKARUSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(E)-(2,3-dichlorophenyl)methylideneamino]thiourea. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [(E)-(2,3-dichlorophenyl)methylideneamino]thiourea. Following Lipinski's Rule of Five, [(E)-(2,3-dichlorophenyl)methylideneamino]thiourea 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 [(E)-(2,3-dichlorophenyl)methylideneamino]thiourea is 1422956-01-1.
The molecular formula of [(E)-(2,3-dichlorophenyl)methylideneamino]thiourea is C8H7Cl2N3S.
The molecular weight of [(E)-(2,3-dichlorophenyl)methylideneamino]thiourea is 246.97377 g/mol.
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