TL;DR: 2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))-N-(((PHENYLAMINO)THIOXOMETHYL)AMINO)ETHANAMIDE (CAS 1022600-30-1) is a chemical compound with molecular formula C15H12ClF3N4OS2 and molecular weight 420.0093 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-3-phenylthiourea
Also Known As: 2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))-N-(((PHENYLAMINO)THIOXOMETHYL)AMINO)ETHANAMIDE, 1-[[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]-3-phenylthiourea, 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-[(phenylcarbamothioyl)amino]acetamide, 1-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]amino]-3-phenyl-thiourea, 3-[[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]-1-phenyl-thiourea
| Molecular Formula | C15H12ClF3N4OS2 |
| Molecular Weight | 420.0093 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.0093 Da |
| Heavy Atoms | 26 |
| Complexity | 492.0 |
| SMILES | C1=CC=C(C=C1)NC(=S)NNC(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl |
| InChIKey | MWPJOALWJNDXNA-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))-N-(((PHENYLAMINO)THIOXOMETHYL)AMINO)ETHANAMIDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))-N-(((PHENYLAMINO)THIOXOMETHYL)AMINO)ETHANAMIDE. Following Lipinski's Rule of Five, 2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))-N-(((PHENYLAMINO)THIOXOMETHYL)AMINO)ETHANAMIDE has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))-N-(((PHENYLAMINO)THIOXOMETHYL)AMINO)ETHANAMIDE is 1022600-30-1.
The molecular formula of 2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))-N-(((PHENYLAMINO)THIOXOMETHYL)AMINO)ETHANAMIDE is C15H12ClF3N4OS2.
The molecular weight of 2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLTHIO))-N-(((PHENYLAMINO)THIOXOMETHYL)AMINO)ETHANAMIDE is 420.0093 g/mol.
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