RefChem:1053107
TL;DR: RefChem:1053107 (CAS 18818-33-2) is a chemical compound with molecular formula C5H9PS4 and molecular weight 227.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1-sulfanylidene-2,6,7-trithia-1λ5-phosphabicyclo[2.2.2]octane
Also Known As: 4-methyl-1-sulfanylidene-2,6,7-trithia-1, 1,3-Propanedithiol, 2-(mercaptomethyl)-2-methyl-, cyclic phosphorotetrathioate (1:1), 2,6,7-Trithia-1-phosphabicyclo(2.2.2)octane, 4-methyl-, 1-sulfide, Phosphorotetrathioic acid, cyclic ester with 2-(mercaptomethyl)-2-methyl-1,3-propanedithiol, 4-methyl-1-sulfanylidene-2,6,7-trithia-1lambda5-phosphabicyclo[2.2.2]octane
| Molecular Formula | C5H9PS4 |
|---|---|
| Molecular Weight | 227.93 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.93246 |
| Heavy Atoms | 10 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 18818-33-2 |
|---|---|
| SMILES | CC12CSP(=S)(SC1)SC2 |
| InChIKey | FQCUMXAELXKPQO-UHFFFAOYSA-N |
Product Overview
RefChem:1053107 (CAS 18818-33-2), with molecular formula C5H9PS4 and molecular weight 227.93 g/mol. IUPAC: 4-methyl-1-sulfanylidene-2,6,7-trithia-1λ5-phosphabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:1053107
Property Insights of RefChem:1053107
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1053107. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1053107. Following Lipinski's Rule of Five, RefChem:1053107 has 0 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 RefChem:1053107?
The CAS number of RefChem:1053107 is 18818-33-2.
What is the molecular formula of RefChem:1053107?
The molecular formula of RefChem:1053107 is C5H9PS4.
What is the molecular weight of RefChem:1053107?
The molecular weight of RefChem:1053107 is 227.93 g/mol.
Where can I buy RefChem:1053107?
You can request a quote for RefChem:1053107 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053107?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053107 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.