Propyl m-tolylsulfide
TL;DR: Propyl m-tolylsulfide (CAS 24767-95-1) is a chemical compound with molecular formula C10H14S and molecular weight 166.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-propylsulfanylbenzene
Also Known As: Propyl m-tolylsulfide, Sulfide, propyl m-tolyl, Propyl m-tolyl sulfide, m-Tolyl-n-propylsulfid, 1-Methyl-3-(propylthio)benZene
| Molecular Formula | C10H14S |
|---|---|
| Molecular Weight | 166.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.08162 |
| Heavy Atoms | 11 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 24767-95-1 |
|---|---|
| SMILES | CCCSC1=CC=CC(=C1)C |
| InChIKey | SPCYGDGCRULHKC-UHFFFAOYSA-N |
Product Overview
Propyl m-tolylsulfide (CAS 24767-95-1), with molecular formula C10H14S and molecular weight 166.08 g/mol. IUPAC: 1-methyl-3-propylsulfanylbenzene.
Chemical Property Profile of Propyl m-tolylsulfide
Property Insights of Propyl m-tolylsulfide
The XLogP value of 3.7 indicates that Propyl m-tolylsulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Propyl m-tolylsulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl m-tolylsulfide 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 Propyl m-tolylsulfide?
The CAS number of Propyl m-tolylsulfide is 24767-95-1.
What is the molecular formula of Propyl m-tolylsulfide?
The molecular formula of Propyl m-tolylsulfide is C10H14S.
What is the molecular weight of Propyl m-tolylsulfide?
The molecular weight of Propyl m-tolylsulfide is 166.08 g/mol.
Where can I buy Propyl m-tolylsulfide?
You can request a quote for Propyl m-tolylsulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl m-tolylsulfide?
Yes, KEHONG BIO provides custom synthesis services for Propyl m-tolylsulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.