Thiocyanic acid, p-ureidophenyl ester
TL;DR: Thiocyanic acid, p-ureidophenyl ester (CAS 98555-04-5) is a chemical compound with molecular formula C8H7N3OS and molecular weight 193.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Thiocyanic acid, p-ureidophenyl ester
[4-(carbamoylamino)phenyl] thiocyanate
Also Known As: p-Ureidophenyl thiocyanate, Thiocyanic acid, p-ureidophenyl ester, [4-(carbamoylamino)phenyl] thiocyanate, 4-(Carbamoylamino)phenyl thiocyanate, 3-13-00-01308 (Beilstein Handbook Reference)
| Molecular Formula | C8H7N3OS |
|---|---|
| Molecular Weight | 193.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.03099 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 98555-04-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)N)SC#N |
| InChIKey | UMRWOUROKYHOQH-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, p-ureidophenyl ester (CAS 98555-04-5), with molecular formula C8H7N3OS and molecular weight 193.03 g/mol. IUPAC: [4-(carbamoylamino)phenyl] thiocyanate.
Chemical Property Profile of Thiocyanic acid, p-ureidophenyl ester
Property Insights of Thiocyanic acid, p-ureidophenyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, p-ureidophenyl ester. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, p-ureidophenyl ester. Following Lipinski's Rule of Five, 硫氰酸对脲基苯酯 has 2 hydrogen bond donor(s) and 3 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 硫氰酸对脲基苯酯?
The CAS number of 硫氰酸对脲基苯酯 is 98555-04-5.
What is the molecular formula of 硫氰酸对脲基苯酯?
The molecular formula of 硫氰酸对脲基苯酯 is C8H7N3OS.
What is the molecular weight of 硫氰酸对脲基苯酯?
The molecular weight of 硫氰酸对脲基苯酯 is 193.03 g/mol.
Where can I buy 硫氰酸对脲基苯酯?
You can request a quote for 硫氰酸对脲基苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫氰酸对脲基苯酯?
Yes, KEHONG BIO provides custom synthesis services for 硫氰酸对脲基苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.