![2-Phenyl-4-picryl-5-[(phenylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one structure](/static/products/137/137577-19-6.webp)
2-Phenyl-4-picryl-5-[(phenylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one
TL;DR: 2-Phenyl-4-picryl-5-[(phenylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one (CAS 137577-19-6) is a chemical compound with molecular formula C21H13N7O8S and molecular weight 523.0546 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1Z)-1-[3-oxo-2-phenyl-4-(2,4,6-trinitrophenyl)-1,2,4-thiadiazolidin-5-ylidene]-3-phenylurea
Also Known As: 2-Phenyl-4-picryl-5-[(phenylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one, 4-Picryl-2-phenyl-5-phenylcarbamoylimino-1,2,4-thiadiazolidin-3-one, 1-[3-oxo-2-phenyl-4-(2,4,6-trinitrophenyl)-1,2,4-thiadiazolidin-5-ylidene]-3-phenyl-urea, 3-[3-oxo-2-phenyl-4-(2,4,6-trinitrophenyl)-1,2,4-thiadiazolidin-5-ylidene]-1-phenylurea, 1-[3-Oxo-2-phenyl-4-(2,4,6-trinitro-phenyl)-[1,2,4]thiadiazolidin-(5Z)-ylidene]-3-phenyl-urea
Technical Specifications
| Molecular Formula | C21H13N7O8S |
| Molecular Weight | 523.0546 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 228.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 523.0546 Da |
| Heavy Atoms | 37 |
| Complexity | 928.0 |
| SMILES | C1=CC=C(C=C1)NC(=O)/N=C\2/N(C(=O)N(S2)C3=CC=CC=C3)C4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DUGBIDJBEDIKAD-ATJXCDBQSA-N |
Chemical Property Profile of 2-Phenyl-4-picryl-5-[(phenylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one
Property Insights of 2-Phenyl-4-picryl-5-[(phenylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one
The XLogP value of 4.1 indicates that 2-Phenyl-4-picryl-5-[(phenylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 228.0 Ų indicates high polarity, suggesting 2-Phenyl-4-picryl-5-[(phenylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Phenyl-4-picryl-5-[(phenylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Phenyl-4-picryl-5-[(phenylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one?
The CAS number of 2-Phenyl-4-picryl-5-[(phenylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one is 137577-19-6.
What is the molecular formula of 2-Phenyl-4-picryl-5-[(phenylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one?
The molecular formula of 2-Phenyl-4-picryl-5-[(phenylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one is C21H13N7O8S.
What is the molecular weight of 2-Phenyl-4-picryl-5-[(phenylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one?
The molecular weight of 2-Phenyl-4-picryl-5-[(phenylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one is 523.0546 g/mol.
Where can I buy 2-Phenyl-4-picryl-5-[(phenylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one?
You can request a quote for 2-Phenyl-4-picryl-5-[(phenylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenyl-4-picryl-5-[(phenylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one?
Yes, CoreyChem provides custom synthesis services for 2-Phenyl-4-picryl-5-[(phenylcarbamoyl)imino]-1,2,4-thiadiazolidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.