TL;DR: [(E)-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]thiourea (CAS 340304-94-1) is a chemical compound with molecular formula C15H18N4S and molecular weight 286.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]thiourea
Also Known As: BIM-0043932.P001, [(E)-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]thiourea, 2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrole-3-carbaldehyde thiosemicarbazone, ({(1E)-2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-1-azavinyl}amino)aminome thane-1-thione, (2E)-2-{[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methylidene}hydrazinecarbothioamide
| Molecular Formula | C15H18N4S |
| Molecular Weight | 286.1252 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 87.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.1252 Da |
| Heavy Atoms | 20 |
| Complexity | 371.0 |
| SMILES | CC1=CC(=CC=C1)N2C(=CC(=C2C)/C=N/NC(=S)N)C |
| InChIKey | RHWDDZXJHUIEOE-RQZCQDPDSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(E)-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]thiourea. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [(E)-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]thiourea. Following Lipinski's Rule of Five, [(E)-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]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)-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]thiourea is 340304-94-1.
The molecular formula of [(E)-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]thiourea is C15H18N4S.
The molecular weight of [(E)-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]thiourea is 286.1252 g/mol.
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