1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide
TL;DR: 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide (CAS 105394-88-5) is a chemical compound with molecular formula C13H11N5O4S and molecular weight 333.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,4-dinitroanilino)-3-phenylthiourea
Also Known As: 1-(2,4-dinitroanilino)-3-phenylthiourea, 1-(2,4-dinitrophenyl)-4-phenyl-3-thiosemicarbazide, 1-[(2,4-dinitrophenyl)amino]-3-phenyl-thiourea, 2-(2,4-dinitrophenyl)-N-phenylhydrazinecarbothioamide, [2-(2,4-dinitrophenyl)hydrazino](phenylamino)methane-1-thione
Technical Specifications
| Molecular Formula | C13H11N5O4S |
| Molecular Weight | 333.05316 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 160.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.05316 Da |
| Heavy Atoms | 23 |
| Complexity | 447.0 |
| SMILES | C1=CC=C(C=C1)NC(=S)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QKMWFXXZYZZHSO-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide
Property Insights of 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide
The XLogP value of 3.6 indicates that 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.0 Ų indicates high polarity, suggesting 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide has 3 hydrogen bond donor(s) and 6 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-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide?
The CAS number of 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide is 105394-88-5.
What is the molecular formula of 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide?
The molecular formula of 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide is C13H11N5O4S.
What is the molecular weight of 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide?
The molecular weight of 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide is 333.05316 g/mol.
Where can I buy 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide?
You can request a quote for 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide?
Yes, CoreyChem provides custom synthesis services for 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.