TL;DR: 2-[(allylamino)carbothioyl]-N-(4-chlorophenyl)-1-hydrazinecarboxamide (CAS 1024282-64-1) is a chemical compound with molecular formula C11H13ClN4OS and molecular weight 284.04987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-3-(prop-2-enylcarbamothioylamino)urea
Also Known As: 1-(4-chlorophenyl)-3-{[(prop-2-en-1-yl)carbamothioyl]amino}urea, 1-(4-chlorophenyl)-3-(prop-2-enylcarbamothioylamino)urea, 2-[(allylamino)carbothioyl]-N-(4-chlorophenyl)-1-hydrazinecarboxamide, 1-(allylcarbamothioylamino)-3-(4-chlorophenyl)urea, 1-(4-chlorophenyl)-3-(prop-2-enylthiocarbamoylamino)urea
| Molecular Formula | C11H13ClN4OS |
| Molecular Weight | 284.04987 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 97.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.04987 Da |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
| SMILES | C=CCNC(=S)NNC(=O)NC1=CC=C(C=C1)Cl |
| InChIKey | LOVMSXGRPVTOFV-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(allylamino)carbothioyl]-N-(4-chlorophenyl)-1-hydrazinecarboxamide. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(allylamino)carbothioyl]-N-(4-chlorophenyl)-1-hydrazinecarboxamide. Following Lipinski's Rule of Five, 2-[(allylamino)carbothioyl]-N-(4-chlorophenyl)-1-hydrazinecarboxamide has 4 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-[(allylamino)carbothioyl]-N-(4-chlorophenyl)-1-hydrazinecarboxamide is 1024282-64-1.
The molecular formula of 2-[(allylamino)carbothioyl]-N-(4-chlorophenyl)-1-hydrazinecarboxamide is C11H13ClN4OS.
The molecular weight of 2-[(allylamino)carbothioyl]-N-(4-chlorophenyl)-1-hydrazinecarboxamide is 284.04987 g/mol.
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