Bis(n-propylthio)methane
TL;DR: Bis(n-propylthio)methane (CAS 5787-16-6) is a chemical compound with molecular formula C7H16S2 and molecular weight 164.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(propylsulfanylmethylsulfanyl)propane
Also Known As: 4,6-dithianonane, Bis(n-propylthio)methane, bis(propylthio)-methane, Formaldehyd-dipropylmercaptal, NCIOpen2_001896
| Molecular Formula | C7H16S2 |
|---|---|
| Molecular Weight | 164.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 164.06934 |
| Heavy Atoms | 9 |
| Complexity | 40.0 |
Chemical Identifiers
| CAS Number | 5787-16-6 |
|---|---|
| SMILES | CCCSCSCCC |
| InChIKey | MRSXHGPXVSDYAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(n-propylthio)methane (CAS 5787-16-6), with molecular formula C7H16S2 and molecular weight 164.07 g/mol. IUPAC: 1-(propylsulfanylmethylsulfanyl)propane.
Chemical Property Profile of Bis(n-propylthio)methane
Property Insights of Bis(n-propylthio)methane
The XLogP value of 3.4 indicates that Bis(n-propylthio)methane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Bis(n-propylthio)methane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(n-propylthio)methane has 0 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 Bis(n-propylthio)methane?
The CAS number of Bis(n-propylthio)methane is 5787-16-6.
What is the molecular formula of Bis(n-propylthio)methane?
The molecular formula of Bis(n-propylthio)methane is C7H16S2.
What is the molecular weight of Bis(n-propylthio)methane?
The molecular weight of Bis(n-propylthio)methane is 164.07 g/mol.
Where can I buy Bis(n-propylthio)methane?
You can request a quote for Bis(n-propylthio)methane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(n-propylthio)methane?
Yes, KEHONG BIO provides custom synthesis services for Bis(n-propylthio)methane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.