Thiolutin
TL;DR: Thiolutin (CAS 87-11-6) is a chemical compound with molecular formula C8H8N2O2S2 and molecular weight 228.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)acetamide
Also Known As: Thiolutin, Acetopyrrothin, Acetopyrrothine, Farcinicin, Farcinicine
| Molecular Formula | C8H8N2O2S2 |
|---|---|
| Molecular Weight | 228.00 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.00272 |
| Heavy Atoms | 14 |
| Complexity | 387.0 |
| Melting Point | 273 - 276 °C |
| Boiling Point | 152.00 to 156.00 °C. @ 17.00 mm Hg |
| Solubility | 0.21 mg/mL |
Chemical Identifiers
| CAS Number | 87-11-6 |
|---|---|
| SMILES | CC(=O)NC1=C2C(=CSS2)N(C1=O)C |
| InChIKey | MHMRAFONCSQAIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiolutin (CAS 87-11-6), with molecular formula C8H8N2O2S2 and molecular weight 228.00 g/mol. IUPAC: N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)acetamide.
Chemical Property Profile of Thiolutin
Property Insights of Thiolutin
The XLogP value of -0.6 indicates that Thiolutin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiolutin. Following Lipinski's Rule of Five, Thiolutin has 1 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 Thiolutin?
The CAS number of Thiolutin is 87-11-6.
What is the molecular formula of Thiolutin?
The molecular formula of Thiolutin is C8H8N2O2S2.
What is the molecular weight of Thiolutin?
The molecular weight of Thiolutin is 228.00 g/mol.
Where can I buy Thiolutin?
You can request a quote for Thiolutin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiolutin?
Yes, KEHONG BIO provides custom synthesis services for Thiolutin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.