1-(Propylthio)propyl methyl disulfide
TL;DR: 1-(Propylthio)propyl methyl disulfide (CAS 126876-21-9) is a chemical compound with molecular formula C7H16S3 and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(methyldisulfanyl)-1-propylsulfanylpropane
Also Known As: 1-(Propylthio)propyl methyl disulfide, 4-ethyl-2,3,5-trithiaoctane, Disulfide, methyl 1-(propylthio)propyl, 1-(methyldisulfanyl)-1-propylsulfanylpropane, 1-Methyl-2-(1-(propylthio)propyl)disulfane
| Molecular Formula | C7H16S3 |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 196.04141 |
| Heavy Atoms | 10 |
| Complexity | 65.0 |
Chemical Identifiers
| CAS Number | 126876-21-9 |
|---|---|
| SMILES | CCCSC(CC)SSC |
| InChIKey | QCPKKCRPPOQHIG-UHFFFAOYSA-N |
Product Overview
1-(Propylthio)propyl methyl disulfide (CAS 126876-21-9), with molecular formula C7H16S3 and molecular weight 196.04 g/mol. IUPAC: 1-(methyldisulfanyl)-1-propylsulfanylpropane.
Chemical Property Profile of 1-(Propylthio)propyl methyl disulfide
Property Insights of 1-(Propylthio)propyl methyl disulfide
The XLogP value of 3.5 indicates that 1-(Propylthio)propyl methyl disulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Propylthio)propyl methyl disulfide. Following Lipinski's Rule of Five, 1-(Propylthio)propyl methyl disulfide has 0 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 1-(Propylthio)propyl methyl disulfide?
The CAS number of 1-(Propylthio)propyl methyl disulfide is 126876-21-9.
What is the molecular formula of 1-(Propylthio)propyl methyl disulfide?
The molecular formula of 1-(Propylthio)propyl methyl disulfide is C7H16S3.
What is the molecular weight of 1-(Propylthio)propyl methyl disulfide?
The molecular weight of 1-(Propylthio)propyl methyl disulfide is 196.04 g/mol.
Where can I buy 1-(Propylthio)propyl methyl disulfide?
You can request a quote for 1-(Propylthio)propyl methyl disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Propylthio)propyl methyl disulfide?
Yes, KEHONG BIO provides custom synthesis services for 1-(Propylthio)propyl methyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.