Pentyl propyl sulfide
TL;DR: Pentyl propyl sulfide (CAS 42841-80-5) is a chemical compound with molecular formula C8H18S and molecular weight 146.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propylsulfanylpentane
Also Known As: Pentyl propyl sulfide, 4-Thianonane, 1-propylsulfanylpentane, 1- pentane, Pentylpropyl sulfide
| Molecular Formula | C8H18S |
|---|---|
| Molecular Weight | 146.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 146.11292 |
| Heavy Atoms | 9 |
| Complexity | 43.0 |
Chemical Identifiers
| CAS Number | 42841-80-5 |
|---|---|
| SMILES | CCCCCSCCC |
| InChIKey | MJRCCWJSYFOGBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentyl propyl sulfide (CAS 42841-80-5), with molecular formula C8H18S and molecular weight 146.11 g/mol. IUPAC: 1-propylsulfanylpentane.
Chemical Property Profile of Pentyl propyl sulfide
Property Insights of Pentyl propyl sulfide
The XLogP value of 3.6 indicates that Pentyl propyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Pentyl propyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 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
Frequently Asked Questions
What is the CAS number of Pentyl propyl sulfide?
The CAS number of Pentyl propyl sulfide is 42841-80-5.
What is the molecular formula of Pentyl propyl sulfide?
The molecular formula of Pentyl propyl sulfide is C8H18S.
What is the molecular weight of Pentyl propyl sulfide?
The molecular weight of Pentyl propyl sulfide is 146.11 g/mol.
Where can I buy Pentyl propyl sulfide?
You can request a quote for Pentyl propyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl propyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Pentyl propyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.