Pseudourea, 2-(p-nitrobenzyl)-2-thio-, monohydrobromide
TL;DR: Pseudourea, 2-(p-nitrobenzyl)-2-thio-, monohydrobromide (CAS 64039-36-7) is a chemical compound with molecular formula C8H10BrN3O2S and molecular weight 290.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl carbamimidothioate;hydrobromide
Also Known As: p-Nitrobenzylisothiourea hydrobromide, 4-nitrobenzyl imidothiocarbamate hydrobromide, AMMONIUMISOVALERATE, 3-(4-nitrobenzyl)isothiourea HBr, 4-Nitrobenzyl carbamimidothioate hydrobromide
| Molecular Formula | C8H10BrN3O2S |
|---|---|
| Molecular Weight | 290.97 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.9677 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 64039-36-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC(=N)N)[N+](=O)[O-].Br |
| InChIKey | LKCKOVQQQIRZIC-UHFFFAOYSA-N |
Product Overview
Pseudourea, 2-(p-nitrobenzyl)-2-thio-, monohydrobromide (CAS 64039-36-7), with molecular formula C8H10BrN3O2S and molecular weight 290.97 g/mol. IUPAC: (4-nitrophenyl)methyl carbamimidothioate;hydrobromide.
Chemical Property Profile of Pseudourea, 2-(p-nitrobenzyl)-2-thio-, monohydrobromide
Property Insights of Pseudourea, 2-(p-nitrobenzyl)-2-thio-, monohydrobromide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudourea, 2-(p-nitrobenzyl)-2-thio-, monohydrobromide. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudourea, 2-(p-nitrobenzyl)-2-thio-, monohydrobromide. Following Lipinski's Rule of Five, Pseudourea, 2-(p-nitrobenzyl)-2-thio-, monohydrobromide has 3 hydrogen bond donor(s) and 4 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 Pseudourea, 2-(p-nitrobenzyl)-2-thio-, monohydrobromide?
The CAS number of Pseudourea, 2-(p-nitrobenzyl)-2-thio-, monohydrobromide is 64039-36-7.
What is the molecular formula of Pseudourea, 2-(p-nitrobenzyl)-2-thio-, monohydrobromide?
The molecular formula of Pseudourea, 2-(p-nitrobenzyl)-2-thio-, monohydrobromide is C8H10BrN3O2S.
What is the molecular weight of Pseudourea, 2-(p-nitrobenzyl)-2-thio-, monohydrobromide?
The molecular weight of Pseudourea, 2-(p-nitrobenzyl)-2-thio-, monohydrobromide is 290.97 g/mol.
Where can I buy Pseudourea, 2-(p-nitrobenzyl)-2-thio-, monohydrobromide?
You can request a quote for Pseudourea, 2-(p-nitrobenzyl)-2-thio-, monohydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudourea, 2-(p-nitrobenzyl)-2-thio-, monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Pseudourea, 2-(p-nitrobenzyl)-2-thio-, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.