二丙硫醚
TL;DR: 二丙硫醚 (CAS 111-47-7) is a chemical compound with molecular formula C6H14S and molecular weight 118.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二丙硫醚
1-propylsulfanylpropane
Also Known As: Propyl sulfide, Dipropyl sulfide, Di-n-propyl sulfide, Dipropyl thioether, Propyl monosulfide
| Molecular Formula | C6H14S |
|---|---|
| Molecular Weight | 118.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 118.08162 |
| Heavy Atoms | 7 |
| Complexity | 23.0 |
| Melting Point | -102.5 °C |
| Boiling Point | 142.00 to 143.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 111-47-7 |
|---|---|
| SMILES | CCCSCCC |
| InChIKey | ZERULLAPCVRMCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二丙硫醚 (CAS 111-47-7), with molecular formula C6H14S and molecular weight 118.08 g/mol. IUPAC: 1-propylsulfanylpropane.
Chemical Property Profile of 二丙硫醚
Property Insights of 二丙硫醚
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二丙硫醚. With a topological polar surface area (TPSA) of 25.3 Ų, 二丙硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二丙硫醚 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
Frequently Asked Questions
What is the CAS number of 二丙硫醚?
The CAS number of 二丙硫醚 is 111-47-7.
What is the molecular formula of 二丙硫醚?
The molecular formula of 二丙硫醚 is C6H14S.
What is the molecular weight of 二丙硫醚?
The molecular weight of 二丙硫醚 is 118.08 g/mol.
Where can I buy 二丙硫醚?
You can request a quote for 二丙硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二丙硫醚?
Yes, KEHONG BIO provides custom synthesis services for 二丙硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.