1-(4-nitrophenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea
TL;DR: 1-(4-nitrophenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea (CAS 1346176-60-0) is a chemical compound with molecular formula C12H11N5O3S and molecular weight 305.05826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-nitrophenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea
Also Known As: 4-(4-nitrophenyl)-1-(pyrrol-2-yl)carbonylthiosemicarbazide, 1-(4-nitrophenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea
Technical Specifications
| Molecular Formula | C12H11N5O3S |
| Molecular Weight | 305.05826 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.05826 Da |
| Heavy Atoms | 21 |
| Complexity | 406.0 |
| SMILES | C1=CNC(=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | MJYQMNZXLHTCQP-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-nitrophenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea
Property Insights of 1-(4-nitrophenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-nitrophenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea. The TPSA of 147.0 Ų indicates high polarity, suggesting 1-(4-nitrophenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(4-nitrophenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea has 4 hydrogen bond donor(s) and 4 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-(4-nitrophenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea?
The CAS number of 1-(4-nitrophenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea is 1346176-60-0.
What is the molecular formula of 1-(4-nitrophenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea?
The molecular formula of 1-(4-nitrophenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea is C12H11N5O3S.
What is the molecular weight of 1-(4-nitrophenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea?
The molecular weight of 1-(4-nitrophenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea is 305.05826 g/mol.
Where can I buy 1-(4-nitrophenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea?
You can request a quote for 1-(4-nitrophenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-nitrophenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea?
Yes, CoreyChem provides custom synthesis services for 1-(4-nitrophenyl)-3-(1H-pyrrole-2-carbonylamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.