1-p-Chlorophenyl 2,4-dithiobiuret
TL;DR: 1-p-Chlorophenyl 2,4-dithiobiuret (CAS 80309-99-5) is a chemical compound with molecular formula C8H8ClN3S2 and molecular weight 244.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-carbamothioyl-3-(4-chlorophenyl)thiourea
Also Known As: p-Chlorophenyl dithiobiuret, 1-p-chlorophenyl 2,4-dithiobiuret, 1-p-chlorophenyldithiobiuret, 1-(p-Chlorophenyl)-2,4-dithiobiuret, 1-(4-Chlorophenyl)dithiobiuret
| Molecular Formula | C8H8ClN3S2 |
|---|---|
| Molecular Weight | 244.98 g/mol |
| LogP | 1.87 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.98482 |
| Heavy Atoms | 14 |
| Complexity | 350.10895 |
Chemical Identifiers
| CAS Number | 80309-99-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=S)NC(=S)N)Cl |
Product Overview
1-p-Chlorophenyl 2,4-dithiobiuret (CAS 80309-99-5), with molecular formula C8H8ClN3S2 and molecular weight 244.98 g/mol. IUPAC: 1-carbamothioyl-3-(4-chlorophenyl)thiourea.
Chemical Property Profile of 1-p-Chlorophenyl 2,4-dithiobiuret
Property Insights of 1-p-Chlorophenyl 2,4-dithiobiuret
The XLogP value of 1.87 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-p-Chlorophenyl 2,4-dithiobiuret. With a topological polar surface area (TPSA) of 50.08 Ų, 1-p-Chlorophenyl 2,4-dithiobiuret exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-p-Chlorophenyl 2,4-dithiobiuret 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-p-Chlorophenyl 2,4-dithiobiuret?
The CAS number of 1-p-Chlorophenyl 2,4-dithiobiuret is 80309-99-5.
What is the molecular formula of 1-p-Chlorophenyl 2,4-dithiobiuret?
The molecular formula of 1-p-Chlorophenyl 2,4-dithiobiuret is C8H8ClN3S2.
What is the molecular weight of 1-p-Chlorophenyl 2,4-dithiobiuret?
The molecular weight of 1-p-Chlorophenyl 2,4-dithiobiuret is 244.98 g/mol.
Where can I buy 1-p-Chlorophenyl 2,4-dithiobiuret?
You can request a quote for 1-p-Chlorophenyl 2,4-dithiobiuret directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-p-Chlorophenyl 2,4-dithiobiuret?
Yes, KEHONG BIO provides custom synthesis services for 1-p-Chlorophenyl 2,4-dithiobiuret and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.