Benzene, methyl(propylthio)-
TL;DR: Benzene, methyl(propylthio)- (CAS 61891-64-3) 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-2-propylsulfanylbenzene
Also Known As: Tolylpropylsulfid, Sulfide, propyl o-tolyl, Benzene, methyl(propylthio)-, Propyl o-tolyl sulfide, 1-Methyl-2-(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 | 61891-64-3 |
|---|---|
| SMILES | CCCSC1=CC=CC=C1C |
| InChIKey | OAKIXGDEEBCTQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, methyl(propylthio)- (CAS 61891-64-3), with molecular formula C10H14S and molecular weight 166.08 g/mol. IUPAC: 1-methyl-2-propylsulfanylbenzene.
Chemical Property Profile of Benzene, methyl(propylthio)-
Property Insights of Benzene, methyl(propylthio)-
The XLogP value of 3.7 indicates that Benzene, methyl(propylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Benzene, methyl(propylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, methyl(propylthio)- 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 Benzene, methyl(propylthio)-?
The CAS number of Benzene, methyl(propylthio)- is 61891-64-3.
What is the molecular formula of Benzene, methyl(propylthio)-?
The molecular formula of Benzene, methyl(propylthio)- is C10H14S.
What is the molecular weight of Benzene, methyl(propylthio)-?
The molecular weight of Benzene, methyl(propylthio)- is 166.08 g/mol.
Where can I buy Benzene, methyl(propylthio)-?
You can request a quote for Benzene, methyl(propylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, methyl(propylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, methyl(propylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.