rel-(2R,5S)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone
TL;DR: rel-(2R,5S)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone (CAS 33284-96-7) is a chemical compound with molecular formula C10H18OS and molecular weight 186.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(2R,5S)-5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one
Also Known As: 8-Mercaptomenthon, (2R,5S)-5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one, cis-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one, rel-(2R,5S)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone, (2R,5S)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone
| Molecular Formula | C10H18OS |
|---|---|
| Molecular Weight | 186.11 g/mol |
| LogP | 2.7001 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.10783 |
| Heavy Atoms | 12 |
| Complexity | 180.76782 |
Chemical Identifiers
| CAS Number | 33284-96-7 |
|---|---|
| SMILES | C[C@H]1CC[C@H](C(=O)C1)C(C)(C)S |
Product Overview
rel-(2R,5S)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone (CAS 33284-96-7), with molecular formula C10H18OS and molecular weight 186.11 g/mol. IUPAC: cis-(2R,5S)-5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one.
Chemical Property Profile of rel-(2R,5S)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone
Property Insights of rel-(2R,5S)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone
The XLogP value of 2.7001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-(2R,5S)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone. With a topological polar surface area (TPSA) of 17.07 Ų, rel-(2R,5S)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-(2R,5S)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone has 1 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 rel-(2R,5S)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone?
The CAS number of rel-(2R,5S)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone is 33284-96-7.
What is the molecular formula of rel-(2R,5S)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone?
The molecular formula of rel-(2R,5S)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone is C10H18OS.
What is the molecular weight of rel-(2R,5S)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone?
The molecular weight of rel-(2R,5S)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone is 186.11 g/mol.
Where can I buy rel-(2R,5S)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone?
You can request a quote for rel-(2R,5S)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-(2R,5S)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for rel-(2R,5S)-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.