1-Phenyl-2-thiobiuret
TL;DR: 1-Phenyl-2-thiobiuret (CAS 53555-72-9) is a chemical compound with molecular formula C8H9N3OS and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenylcarbamothioylurea
Also Known As: 1-PHENYL-2-THIOBIURET, phenylcarbamothioylurea, Phenylthiocarbamoylurea, phenyl-carbamothioyl-urea, N-phenyldicarbonimidothioic diamide
| Molecular Formula | C8H9N3OS |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 1.0517 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.04663 |
| Heavy Atoms | 13 |
| Complexity | 312.425 |
Chemical Identifiers
| CAS Number | 53555-72-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NC(=O)N |
Product Overview
1-Phenyl-2-thiobiuret (CAS 53555-72-9), with molecular formula C8H9N3OS and molecular weight 195.05 g/mol. IUPAC: phenylcarbamothioylurea.
Chemical Property Profile of 1-Phenyl-2-thiobiuret
Property Insights of 1-Phenyl-2-thiobiuret
The XLogP value of 1.0517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-2-thiobiuret. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-2-thiobiuret. Following Lipinski's Rule of Five, 1-Phenyl-2-thiobiuret has 3 hydrogen bond donor(s) and 2 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-Phenyl-2-thiobiuret?
The CAS number of 1-Phenyl-2-thiobiuret is 53555-72-9.
What is the molecular formula of 1-Phenyl-2-thiobiuret?
The molecular formula of 1-Phenyl-2-thiobiuret is C8H9N3OS.
What is the molecular weight of 1-Phenyl-2-thiobiuret?
The molecular weight of 1-Phenyl-2-thiobiuret is 195.05 g/mol.
Where can I buy 1-Phenyl-2-thiobiuret?
You can request a quote for 1-Phenyl-2-thiobiuret directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-2-thiobiuret?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-2-thiobiuret and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.