2-((4-Methylpiperazine-1-carbonothioyl)thio)acetic acid hydrochloride
TL;DR: 2-((4-Methylpiperazine-1-carbonothioyl)thio)acetic acid hydrochloride (CAS 465535-58-4) is a chemical compound with molecular formula C8H15ClN2O2S2 and molecular weight 270.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpiperazine-1-carbothioyl)sulfanylacetic acid;hydrochloride
Also Known As: 2-(4-methylpiperazine-1-carbothioyl)sulfanylacetic Acid Hydrochloride, {[(4-methyl-1-piperazinyl)carbonothioyl]thio}acetic acid hydrochloride, 2-((4-methylpiperazine-1-carbonothioyl)thio)acetic acid hydrochloride
| Molecular Formula | C8H15ClN2O2S2 |
|---|---|
| Molecular Weight | 270.03 g/mol |
| LogP | 0.7583 |
| Topological Polar Surface Area | 43.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.02634 |
| Heavy Atoms | 15 |
| Complexity | 232.68156 |
Chemical Identifiers
| CAS Number | 465535-58-4 |
|---|---|
| SMILES | CN1CCN(CC1)C(=S)SCC(=O)O.Cl |
Product Overview
2-((4-Methylpiperazine-1-carbonothioyl)thio)acetic acid hydrochloride (CAS 465535-58-4), with molecular formula C8H15ClN2O2S2 and molecular weight 270.03 g/mol. IUPAC: 2-(4-methylpiperazine-1-carbothioyl)sulfanylacetic acid;hydrochloride.
Chemical Property Profile of 2-((4-Methylpiperazine-1-carbonothioyl)thio)acetic acid hydrochloride
Property Insights of 2-((4-Methylpiperazine-1-carbonothioyl)thio)acetic acid hydrochloride
The XLogP value of 0.7583 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Methylpiperazine-1-carbonothioyl)thio)acetic acid hydrochloride. With a topological polar surface area (TPSA) of 43.78 Ų, 2-((4-Methylpiperazine-1-carbonothioyl)thio)acetic acid hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Methylpiperazine-1-carbonothioyl)thio)acetic acid hydrochloride 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 2-((4-Methylpiperazine-1-carbonothioyl)thio)acetic acid hydrochloride?
The CAS number of 2-((4-Methylpiperazine-1-carbonothioyl)thio)acetic acid hydrochloride is 465535-58-4.
What is the molecular formula of 2-((4-Methylpiperazine-1-carbonothioyl)thio)acetic acid hydrochloride?
The molecular formula of 2-((4-Methylpiperazine-1-carbonothioyl)thio)acetic acid hydrochloride is C8H15ClN2O2S2.
What is the molecular weight of 2-((4-Methylpiperazine-1-carbonothioyl)thio)acetic acid hydrochloride?
The molecular weight of 2-((4-Methylpiperazine-1-carbonothioyl)thio)acetic acid hydrochloride is 270.03 g/mol.
Where can I buy 2-((4-Methylpiperazine-1-carbonothioyl)thio)acetic acid hydrochloride?
You can request a quote for 2-((4-Methylpiperazine-1-carbonothioyl)thio)acetic acid hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Methylpiperazine-1-carbonothioyl)thio)acetic acid hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Methylpiperazine-1-carbonothioyl)thio)acetic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.