1-(Methylthio)cyclohexene
TL;DR: 1-(Methylthio)cyclohexene (CAS 4410-13-3) is a chemical compound with molecular formula C7H12S and molecular weight 128.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfanylcyclohexene
Also Known As: 1-(methylthio)cyclohexene, 1-methylsulfanylcyclohexene, 1-(methylsulfanyl)cyclohex-1-ene, InChI=1/C7H12S/c1-8-7-5-3-2-4-6-7/h5H,2-4,6H2,1H
| Molecular Formula | C7H12S |
|---|---|
| Molecular Weight | 128.07 g/mol |
| LogP | 2.8073 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.06598 |
| Heavy Atoms | 8 |
| Complexity | 94.55995 |
Chemical Identifiers
| CAS Number | 4410-13-3 |
|---|---|
| SMILES | CSC1=CCCCC1 |
Product Overview
1-(Methylthio)cyclohexene (CAS 4410-13-3), with molecular formula C7H12S and molecular weight 128.07 g/mol. IUPAC: 1-methylsulfanylcyclohexene.
Chemical Property Profile of 1-(Methylthio)cyclohexene
Property Insights of 1-(Methylthio)cyclohexene
The XLogP value of 2.8073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Methylthio)cyclohexene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-(Methylthio)cyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Methylthio)cyclohexene 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 1-(Methylthio)cyclohexene?
The CAS number of 1-(Methylthio)cyclohexene is 4410-13-3.
What is the molecular formula of 1-(Methylthio)cyclohexene?
The molecular formula of 1-(Methylthio)cyclohexene is C7H12S.
What is the molecular weight of 1-(Methylthio)cyclohexene?
The molecular weight of 1-(Methylthio)cyclohexene is 128.07 g/mol.
Where can I buy 1-(Methylthio)cyclohexene?
You can request a quote for 1-(Methylthio)cyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Methylthio)cyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Methylthio)cyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.