2-(1-hydroxycyclohexyl)ethanethioic S-acid
TL;DR: 2-(1-hydroxycyclohexyl)ethanethioic S-acid (CAS 71022-98-5) is a chemical compound with molecular formula C8H14O2S and molecular weight 174.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-hydroxycyclohexyl)ethanethioic S-acid
Also Known As: 2-(1-hydroxycyclohexyl)ethanethioic S-acid, (1-Hydroxycyclohexyl)ethanethioic S-acid
| Molecular Formula | C8H14O2S |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.07146 |
| Heavy Atoms | 11 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 71022-98-5 |
|---|---|
| SMILES | C1CCC(CC1)(CC(=O)S)O |
| InChIKey | WSBFQWROQYMJKE-UHFFFAOYSA-N |
Product Overview
2-(1-hydroxycyclohexyl)ethanethioic S-acid (CAS 71022-98-5), with molecular formula C8H14O2S and molecular weight 174.07 g/mol. IUPAC: 2-(1-hydroxycyclohexyl)ethanethioic S-acid.
Chemical Property Profile of 2-(1-hydroxycyclohexyl)ethanethioic S-acid
Property Insights of 2-(1-hydroxycyclohexyl)ethanethioic S-acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-hydroxycyclohexyl)ethanethioic S-acid. With a topological polar surface area (TPSA) of 38.3 Ų, 2-(1-hydroxycyclohexyl)ethanethioic S-acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-hydroxycyclohexyl)ethanethioic S-acid has 2 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-(1-hydroxycyclohexyl)ethanethioic S-acid?
The CAS number of 2-(1-hydroxycyclohexyl)ethanethioic S-acid is 71022-98-5.
What is the molecular formula of 2-(1-hydroxycyclohexyl)ethanethioic S-acid?
The molecular formula of 2-(1-hydroxycyclohexyl)ethanethioic S-acid is C8H14O2S.
What is the molecular weight of 2-(1-hydroxycyclohexyl)ethanethioic S-acid?
The molecular weight of 2-(1-hydroxycyclohexyl)ethanethioic S-acid is 174.07 g/mol.
Where can I buy 2-(1-hydroxycyclohexyl)ethanethioic S-acid?
You can request a quote for 2-(1-hydroxycyclohexyl)ethanethioic S-acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-hydroxycyclohexyl)ethanethioic S-acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-hydroxycyclohexyl)ethanethioic S-acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.