cis-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one
TL;DR: cis-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one (CAS 34349-25-2) 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-(2S,5R)-5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one
Also Known As: (1r,4s)-8-mercaptomenthone, p-Mentha-8-thiol-3-one, cis-, p-Menthan-3-one, 8-mercapto-, cis-, EINECS 251-442-8, (1R,4S)-8-thio-para-menthan-3-one
| 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 | 34349-25-2 |
|---|---|
| SMILES | C[C@@H]1CC[C@@H](C(=O)C1)C(C)(C)S |
Product Overview
cis-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one (CAS 34349-25-2), with molecular formula C10H18OS and molecular weight 186.11 g/mol. IUPAC: cis-(2S,5R)-5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one.
Chemical Property Profile of cis-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one
Property Insights of cis-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one
The XLogP value of 2.7001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one. With a topological polar surface area (TPSA) of 17.07 Ų, cis-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one 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 cis-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one?
The CAS number of cis-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one is 34349-25-2.
What is the molecular formula of cis-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one?
The molecular formula of cis-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one is C10H18OS.
What is the molecular weight of cis-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one?
The molecular weight of cis-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one is 186.11 g/mol.
Where can I buy cis-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one?
You can request a quote for cis-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for cis-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.