(Piperidine-1-carbothioylsulfanyl)-acetic acid
TL;DR: (Piperidine-1-carbothioylsulfanyl)-acetic acid (CAS 20069-24-3) is a chemical compound with molecular formula C8H13NO2S2 and molecular weight 219.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(piperidine-1-carbothioylsulfanyl)acetic acid
Also Known As: (Piperidine-1-carbothioylsulfanyl)-acetic acid, 2-(piperidine-1-carbothioylsulfanyl)acetic acid, 2-((piperidine-1-carbonothioyl)thio)acetic acid, [(piperidin-1-ylcarbonothioyl)sulfanyl]acetic acid, Acetic acid, [(1-piperidinylthioxomethyl)thio]-
| Molecular Formula | C8H13NO2S2 |
|---|---|
| Molecular Weight | 219.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.03877 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 20069-24-3 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)SCC(=O)O |
| InChIKey | OKGGXLDTGBINSP-UHFFFAOYSA-N |
Product Overview
(Piperidine-1-carbothioylsulfanyl)-acetic acid (CAS 20069-24-3), with molecular formula C8H13NO2S2 and molecular weight 219.04 g/mol. IUPAC: 2-(piperidine-1-carbothioylsulfanyl)acetic acid.
Chemical Property Profile of (Piperidine-1-carbothioylsulfanyl)-acetic acid
Property Insights of (Piperidine-1-carbothioylsulfanyl)-acetic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Piperidine-1-carbothioylsulfanyl)-acetic acid. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (Piperidine-1-carbothioylsulfanyl)-acetic acid. Following Lipinski's Rule of Five, (Piperidine-1-carbothioylsulfanyl)-acetic acid has 1 hydrogen bond donor(s) and 4 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 (Piperidine-1-carbothioylsulfanyl)-acetic acid?
The CAS number of (Piperidine-1-carbothioylsulfanyl)-acetic acid is 20069-24-3.
What is the molecular formula of (Piperidine-1-carbothioylsulfanyl)-acetic acid?
The molecular formula of (Piperidine-1-carbothioylsulfanyl)-acetic acid is C8H13NO2S2.
What is the molecular weight of (Piperidine-1-carbothioylsulfanyl)-acetic acid?
The molecular weight of (Piperidine-1-carbothioylsulfanyl)-acetic acid is 219.04 g/mol.
Where can I buy (Piperidine-1-carbothioylsulfanyl)-acetic acid?
You can request a quote for (Piperidine-1-carbothioylsulfanyl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Piperidine-1-carbothioylsulfanyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (Piperidine-1-carbothioylsulfanyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.