s-Methyl 4-methylpiperazine-1-carbothioate
TL;DR: s-Methyl 4-methylpiperazine-1-carbothioate (CAS 83542-79-4) is a chemical compound with molecular formula C7H14N2OS and molecular weight 174.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl 4-methylpiperazine-1-carbothioate
Also Known As: s-methyl 4-methylpiperazine-1-carbothioate
| Molecular Formula | C7H14N2OS |
|---|---|
| Molecular Weight | 174.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 48.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.08269 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 83542-79-4 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)SC |
| InChIKey | UTUARDKINWECTA-UHFFFAOYSA-N |
Product Overview
s-Methyl 4-methylpiperazine-1-carbothioate (CAS 83542-79-4), with molecular formula C7H14N2OS and molecular weight 174.08 g/mol. IUPAC: S-methyl 4-methylpiperazine-1-carbothioate.
Chemical Property Profile of s-Methyl 4-methylpiperazine-1-carbothioate
Property Insights of s-Methyl 4-methylpiperazine-1-carbothioate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for s-Methyl 4-methylpiperazine-1-carbothioate. With a topological polar surface area (TPSA) of 48.9 Ų, s-Methyl 4-methylpiperazine-1-carbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Methyl 4-methylpiperazine-1-carbothioate has 0 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 s-Methyl 4-methylpiperazine-1-carbothioate?
The CAS number of s-Methyl 4-methylpiperazine-1-carbothioate is 83542-79-4.
What is the molecular formula of s-Methyl 4-methylpiperazine-1-carbothioate?
The molecular formula of s-Methyl 4-methylpiperazine-1-carbothioate is C7H14N2OS.
What is the molecular weight of s-Methyl 4-methylpiperazine-1-carbothioate?
The molecular weight of s-Methyl 4-methylpiperazine-1-carbothioate is 174.08 g/mol.
Where can I buy s-Methyl 4-methylpiperazine-1-carbothioate?
You can request a quote for s-Methyl 4-methylpiperazine-1-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Methyl 4-methylpiperazine-1-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for s-Methyl 4-methylpiperazine-1-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.