![1-[(Phenylthio)methyl]cyclohexanol structure](/static/products/1017/101704-19-2.webp)
1-[(Phenylthio)methyl]cyclohexanol
TL;DR: 1-[(Phenylthio)methyl]cyclohexanol (CAS 101704-19-2) is a chemical compound with molecular formula C13H18OS and molecular weight 222.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(phenylsulfanylmethyl)cyclohexan-1-ol
Also Known As: Cyclohexanol, 1-[(phenylthio)methyl]-, 1-[(Phenylthio)methyl]cyclohexanol, 1-(Phenylthiomethyl)cyclohexanol, 1-(phenylsulfanylmethyl)cyclohexan-1-ol, 1-((Phenylthio)methyl)cyclohexanol
| Molecular Formula | C13H18OS |
|---|---|
| Molecular Weight | 222.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.10783 |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 101704-19-2 |
|---|---|
| SMILES | C1CCC(CC1)(CSC2=CC=CC=C2)O |
| InChIKey | CRMGYVRRNGABTN-UHFFFAOYSA-N |
Product Overview
1-[(Phenylthio)methyl]cyclohexanol (CAS 101704-19-2), with molecular formula C13H18OS and molecular weight 222.11 g/mol. IUPAC: 1-(phenylsulfanylmethyl)cyclohexan-1-ol.
Chemical Property Profile of 1-[(Phenylthio)methyl]cyclohexanol
Property Insights of 1-[(Phenylthio)methyl]cyclohexanol
The XLogP value of 3.4 indicates that 1-[(Phenylthio)methyl]cyclohexanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, 1-[(Phenylthio)methyl]cyclohexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(Phenylthio)methyl]cyclohexanol 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 1-[(Phenylthio)methyl]cyclohexanol?
The CAS number of 1-[(Phenylthio)methyl]cyclohexanol is 101704-19-2.
What is the molecular formula of 1-[(Phenylthio)methyl]cyclohexanol?
The molecular formula of 1-[(Phenylthio)methyl]cyclohexanol is C13H18OS.
What is the molecular weight of 1-[(Phenylthio)methyl]cyclohexanol?
The molecular weight of 1-[(Phenylthio)methyl]cyclohexanol is 222.11 g/mol.
Where can I buy 1-[(Phenylthio)methyl]cyclohexanol?
You can request a quote for 1-[(Phenylthio)methyl]cyclohexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(Phenylthio)methyl]cyclohexanol?
Yes, KEHONG BIO provides custom synthesis services for 1-[(Phenylthio)methyl]cyclohexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.