4-Hydroxy-3-nitrobenzyl carbamimidothioate
TL;DR: 4-Hydroxy-3-nitrobenzyl carbamimidothioate (CAS 487018-47-3) is a chemical compound with molecular formula C8H9N3O3S and molecular weight 227.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hydroxy-3-nitrophenyl)methyl carbamimidothioate
Also Known As: 4-hydroxy-3-nitrobenzyl carbamimidothioate, (4-hydroxy-3-nitrophenyl)methyl carbamimidothioate, (4-hydroxy-3-nitro-phenyl)methylsulfanylmethanimidamide
| Molecular Formula | C8H9N3O3S |
|---|---|
| Molecular Weight | 227.04 g/mol |
| LogP | 1.42707 |
| Topological Polar Surface Area | 113.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.03647 |
| Heavy Atoms | 15 |
| Complexity | 408.1184 |
Chemical Identifiers
| CAS Number | 487018-47-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1CSC(=N)N)[N+](=O)[O-])O |
Product Overview
4-Hydroxy-3-nitrobenzyl carbamimidothioate (CAS 487018-47-3), with molecular formula C8H9N3O3S and molecular weight 227.04 g/mol. IUPAC: (4-hydroxy-3-nitrophenyl)methyl carbamimidothioate.
Chemical Property Profile of 4-Hydroxy-3-nitrobenzyl carbamimidothioate
Property Insights of 4-Hydroxy-3-nitrobenzyl carbamimidothioate
The XLogP value of 1.42707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-3-nitrobenzyl carbamimidothioate. The TPSA of 113.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-3-nitrobenzyl carbamimidothioate. Following Lipinski's Rule of Five, 4-Hydroxy-3-nitrobenzyl carbamimidothioate has 3 hydrogen bond donor(s) and 5 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 4-Hydroxy-3-nitrobenzyl carbamimidothioate?
The CAS number of 4-Hydroxy-3-nitrobenzyl carbamimidothioate is 487018-47-3.
What is the molecular formula of 4-Hydroxy-3-nitrobenzyl carbamimidothioate?
The molecular formula of 4-Hydroxy-3-nitrobenzyl carbamimidothioate is C8H9N3O3S.
What is the molecular weight of 4-Hydroxy-3-nitrobenzyl carbamimidothioate?
The molecular weight of 4-Hydroxy-3-nitrobenzyl carbamimidothioate is 227.04 g/mol.
Where can I buy 4-Hydroxy-3-nitrobenzyl carbamimidothioate?
You can request a quote for 4-Hydroxy-3-nitrobenzyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-3-nitrobenzyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3-nitrobenzyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.