TL;DR: N-(2-((2-((Anilinocarbothioyl)amino)ethyl)dithio)ethyl)-N'-phenylthiourea (CAS 15267-16-0) is a chemical compound with molecular formula C18H22N4S4 and molecular weight 422.07272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-3-[2-[2-(phenylcarbamothioylamino)ethyldisulfanyl]ethyl]thiourea
Also Known As: N-(2-((2-((Anilinocarbothioyl)amino)ethyl)dithio)ethyl)-N'-phenylthiourea, bis[2-(3-phenyl-thioureido)ethyl]disulfide, J3.135.481A, 1,1 -(Dithiobisethylene)bis(3-phenylthiourea), UREA, 1,1'-(DITHIODIETHYLENE)BIS(3-PHENYL-2-THIO-
| Molecular Formula | C18H22N4S4 |
| Molecular Weight | 422.07272 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 422.07272 Da |
| Heavy Atoms | 26 |
| Complexity | 372.0 |
| SMILES | C1=CC=C(C=C1)NC(=S)NCCSSCCNC(=S)NC2=CC=CC=C2 |
| InChIKey | YUMZALXGEIVNAN-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that N-(2-((2-((Anilinocarbothioyl)amino)ethyl)dithio)ethyl)-N'-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting N-(2-((2-((Anilinocarbothioyl)amino)ethyl)dithio)ethyl)-N'-phenylthiourea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-((2-((Anilinocarbothioyl)amino)ethyl)dithio)ethyl)-N'-phenylthiourea has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(2-((2-((Anilinocarbothioyl)amino)ethyl)dithio)ethyl)-N'-phenylthiourea is 15267-16-0.
The molecular formula of N-(2-((2-((Anilinocarbothioyl)amino)ethyl)dithio)ethyl)-N'-phenylthiourea is C18H22N4S4.
The molecular weight of N-(2-((2-((Anilinocarbothioyl)amino)ethyl)dithio)ethyl)-N'-phenylthiourea is 422.07272 g/mol.
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