Trimethylenebisethylsulfide
TL;DR: Trimethylenebisethylsulfide (CAS 33672-52-5) 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.
1,3-bis(ethylsulfanyl)propane
Also Known As: Trimethylenebisethylsulfide, 3,7-dithianonane, 1,3-Bis(ethylthio)propane, 1,3-Bis(ethylsulfanyl)propane, Propane, 1,3-bis(ethylthio)-
| Molecular Formula | C7H16S2 |
|---|---|
| Molecular Weight | 164.07 g/mol |
| LogP | 2.6 |
| 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 | 33672-52-5 |
|---|---|
| SMILES | CCSCCCSCC |
| InChIKey | SXVCWHWUDQCLAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylenebisethylsulfide (CAS 33672-52-5), with molecular formula C7H16S2 and molecular weight 164.07 g/mol. IUPAC: 1,3-bis(ethylsulfanyl)propane.
Chemical Property Profile of Trimethylenebisethylsulfide
Property Insights of Trimethylenebisethylsulfide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethylenebisethylsulfide. With a topological polar surface area (TPSA) of 50.6 Ų, Trimethylenebisethylsulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethylenebisethylsulfide 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 Trimethylenebisethylsulfide?
The CAS number of Trimethylenebisethylsulfide is 33672-52-5.
What is the molecular formula of Trimethylenebisethylsulfide?
The molecular formula of Trimethylenebisethylsulfide is C7H16S2.
What is the molecular weight of Trimethylenebisethylsulfide?
The molecular weight of Trimethylenebisethylsulfide is 164.07 g/mol.
Where can I buy Trimethylenebisethylsulfide?
You can request a quote for Trimethylenebisethylsulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylenebisethylsulfide?
Yes, KEHONG BIO provides custom synthesis services for Trimethylenebisethylsulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.