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 333.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C13H11N5O4S |
|---|---|
| Molecular Weight | 333.05 g/mol |
| LogP | 2.8165 |
| Topological Polar Surface Area | 122.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.05316 |
| Heavy Atoms | 23 |
| Complexity | 753.28503 |
Chemical Identifiers
| CAS Number | 105394-88-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide (CAS 105394-88-5), with molecular formula C13H11N5O4S and molecular weight 333.05 g/mol. IUPAC: 1-(2,4-dinitroanilino)-3-phenylthiourea.
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 2.8165 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide. The TPSA of 122.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide. 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
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 333.05 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Dinitrophenyl)-4-phenyl-3-thiosemicarbazide?
Yes, KEHONG BIO 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.