2-(Bis(methylsulfanyl)methylene)cyclohexanone
TL;DR: 2-(Bis(methylsulfanyl)methylene)cyclohexanone (CAS 17649-90-0) is a chemical compound with molecular formula C9H14OS2 and molecular weight 202.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(methylsulfanyl)methylidene]cyclohexan-1-one
Also Known As: 2-[Bis(methylsulfanyl)methylene]cyclohexanone, Cyclohexanone, 2-[bis(methylthio)methylene]-, 2-[bis(methylsulfanyl)methylidene]cyclohexan-1-one, 2-bis(methylthio)methylenecyclo-hexanone, 2-[Di(methylthio)methylene]cyclohexanone
| Molecular Formula | C9H14OS2 |
|---|---|
| Molecular Weight | 202.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.04861 |
| Heavy Atoms | 12 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 17649-90-0 |
|---|---|
| SMILES | CSC(=C1CCCCC1=O)SC |
| InChIKey | GSUKOSRJPRYQQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Bis(methylsulfanyl)methylene)cyclohexanone (CAS 17649-90-0), with molecular formula C9H14OS2 and molecular weight 202.05 g/mol. IUPAC: 2-[bis(methylsulfanyl)methylidene]cyclohexan-1-one.
Chemical Property Profile of 2-(Bis(methylsulfanyl)methylene)cyclohexanone
Property Insights of 2-(Bis(methylsulfanyl)methylene)cyclohexanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Bis(methylsulfanyl)methylene)cyclohexanone. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Bis(methylsulfanyl)methylene)cyclohexanone. Following Lipinski's Rule of Five, 2-(Bis(methylsulfanyl)methylene)cyclohexanone has 0 hydrogen bond donor(s) and 3 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 2-(Bis(methylsulfanyl)methylene)cyclohexanone?
The CAS number of 2-(Bis(methylsulfanyl)methylene)cyclohexanone is 17649-90-0.
What is the molecular formula of 2-(Bis(methylsulfanyl)methylene)cyclohexanone?
The molecular formula of 2-(Bis(methylsulfanyl)methylene)cyclohexanone is C9H14OS2.
What is the molecular weight of 2-(Bis(methylsulfanyl)methylene)cyclohexanone?
The molecular weight of 2-(Bis(methylsulfanyl)methylene)cyclohexanone is 202.05 g/mol.
Where can I buy 2-(Bis(methylsulfanyl)methylene)cyclohexanone?
You can request a quote for 2-(Bis(methylsulfanyl)methylene)cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Bis(methylsulfanyl)methylene)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Bis(methylsulfanyl)methylene)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.