1-(Ethylthio)-3-methoxybenzene
TL;DR: 1-(Ethylthio)-3-methoxybenzene (CAS 38474-02-1) is a chemical compound with molecular formula C9H12OS and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylsulfanyl-3-methoxybenzene
Also Known As: 1-(ethylthio)-3-methoxybenzene, 1-(Ethylsulfanyl)-3-methoxybenzene, 3-Methoxy-thiophenetol, benzene, 1-(ethylthio)-3-methoxy-, ETHYL 3-METHOXYPHENYL SULFIDE
| Molecular Formula | C9H12OS |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.06088 |
| Heavy Atoms | 11 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 38474-02-1 |
|---|---|
| SMILES | CCSC1=CC=CC(=C1)OC |
| InChIKey | BEPBPCRLISEYKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Ethylthio)-3-methoxybenzene (CAS 38474-02-1), with molecular formula C9H12OS and molecular weight 168.06 g/mol. IUPAC: 1-ethylsulfanyl-3-methoxybenzene.
Chemical Property Profile of 1-(Ethylthio)-3-methoxybenzene
Property Insights of 1-(Ethylthio)-3-methoxybenzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Ethylthio)-3-methoxybenzene. With a topological polar surface area (TPSA) of 34.5 Ų, 1-(Ethylthio)-3-methoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Ethylthio)-3-methoxybenzene has 0 hydrogen bond donor(s) and 2 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 1-(Ethylthio)-3-methoxybenzene?
The CAS number of 1-(Ethylthio)-3-methoxybenzene is 38474-02-1.
What is the molecular formula of 1-(Ethylthio)-3-methoxybenzene?
The molecular formula of 1-(Ethylthio)-3-methoxybenzene is C9H12OS.
What is the molecular weight of 1-(Ethylthio)-3-methoxybenzene?
The molecular weight of 1-(Ethylthio)-3-methoxybenzene is 168.06 g/mol.
Where can I buy 1-(Ethylthio)-3-methoxybenzene?
You can request a quote for 1-(Ethylthio)-3-methoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Ethylthio)-3-methoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Ethylthio)-3-methoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.