1-(2-(4-Iodophenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide
TL;DR: 1-(2-(4-Iodophenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide (CAS 1023431-47-1) is a chemical compound with molecular formula C15H13IN4O4S and molecular weight 471.9702 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[2-(4-iodophenoxy)acetyl]amino]-3-(4-nitrophenyl)thiourea
Also Known As: 1-[[2-(4-iodophenoxy)acetyl]amino]-3-(4-nitrophenyl)thiourea, 1-(2-(4-IODOPHENOXY)ACETYL)-4-(4-NITROPHENYL)THIOSEMICARBAZIDE, 3-[[2-(4-iodophenoxy)acetyl]amino]-1-(4-nitrophenyl)thiourea, 2-(4-iodophenoxy)-N-{[(4-nitrophenyl)carbamothioyl]amino}acetamide, 2-(2-(4-Iodophenoxy)acetyl)-N-(4-nitrophenyl)hydrazine-1-carbothioamide
Technical Specifications
| Molecular Formula | C15H13IN4O4S |
| Molecular Weight | 471.9702 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.9702 Da |
| Heavy Atoms | 25 |
| Complexity | 475.0 |
| SMILES | C1=CC(=CC=C1NC(=S)NNC(=O)COC2=CC=C(C=C2)I)[N+](=O)[O-] |
| InChIKey | KMJZEBTXIBVVSH-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-(4-Iodophenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide
Property Insights of 1-(2-(4-Iodophenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide
The XLogP value of 3.2 indicates that 1-(2-(4-Iodophenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting 1-(2-(4-Iodophenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2-(4-Iodophenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(2-(4-Iodophenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide?
The CAS number of 1-(2-(4-Iodophenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide is 1023431-47-1.
What is the molecular formula of 1-(2-(4-Iodophenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide?
The molecular formula of 1-(2-(4-Iodophenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide is C15H13IN4O4S.
What is the molecular weight of 1-(2-(4-Iodophenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide?
The molecular weight of 1-(2-(4-Iodophenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide is 471.9702 g/mol.
Where can I buy 1-(2-(4-Iodophenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide?
You can request a quote for 1-(2-(4-Iodophenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-(4-Iodophenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide?
Yes, CoreyChem provides custom synthesis services for 1-(2-(4-Iodophenoxy)acetyl)-4-(4-nitrophenyl)thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.