Propyl sulfide
TL;DR: Propyl sulfide (CAS 111-47-7) is a chemical compound with molecular formula C6H14S and molecular weight 118.08162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-propylsulfanylpropane
Also Known As: Propyl sulfide, Dipropyl sulfide, Di-n-propyl sulfide, Dipropyl thioether, Propyl monosulfide
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H14S |
| Molecular Weight | 118.08162 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 118.08162 Da |
| Heavy Atoms | 7 |
| Complexity | 23.0 |
| Melting Point | -102.5 °C |
| Boiling Point | 142.00 to 143.00 °C. @ 760.00 mm Hg |
| SMILES | CCCSCCC |
| InChIKey | ZERULLAPCVRMCO-UHFFFAOYSA-N |
Product Description
Applications: Propyl sulfide is used in pharmaceutical synthesis routes and API production, as well as peptide synthesis and amino acid derivative chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Propyl sulfide (CAS 111-47-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Propyl sulfide (CAS 111-47-7) has the molecular formula C6H14S and a molecular weight of 118.08 g/mol. It is also known as Propyl sulfide and Dipropyl sulfide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Propyl sulfide
Property Insights of Propyl sulfide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl sulfide. With a topological polar surface area (TPSA) of 25.3 Ų, Propyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl sulfide has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Propyl sulfide?
The CAS number of Propyl sulfide is 111-47-7.
What is the molecular formula of Propyl sulfide?
The molecular formula of Propyl sulfide is C6H14S.
What is the molecular weight of Propyl sulfide?
The molecular weight of Propyl sulfide is 118.08162 g/mol.
What are the applications of Propyl sulfide?
Propyl sulfide is used in pharmaceutical synthesis routes and API production, as well as peptide synthesis and amino acid derivative chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Propyl sulfide (CAS 111-47-7) with custom synthesis available...
Where can I buy Propyl sulfide?
You can request a quote for Propyl sulfide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propyl sulfide?
Yes, CoreyChem provides custom synthesis services for Propyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.