4-methylpiperidine-1-carbodithioic Acid
TL;DR: 4-methylpiperidine-1-carbodithioic Acid (CAS 45798-02-5) is a chemical compound with molecular formula C7H13NS2 and molecular weight 175.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylpiperidine-1-carbodithioic acid
Also Known As: 4-methylpiperidine-1-carbodithioic Acid, 4-Methyl-1-piperidinecarbodithioic acid, 1-Piperidinecarbodithioic acid,4-methyl, 4-Methylpiperidine-1-dithiocarboxylicacid, 1-Piperidinecarbodithioic acid, 4-methyl-
| Molecular Formula | C7H13NS2 |
|---|---|
| Molecular Weight | 175.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.04893 |
| Heavy Atoms | 10 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 45798-02-5 |
|---|---|
| SMILES | CC1CCN(CC1)C(=S)S |
| InChIKey | SQYUNWIIERBBEU-UHFFFAOYSA-N |
Product Overview
4-methylpiperidine-1-carbodithioic Acid (CAS 45798-02-5), with molecular formula C7H13NS2 and molecular weight 175.05 g/mol. IUPAC: 4-methylpiperidine-1-carbodithioic acid.
Chemical Property Profile of 4-methylpiperidine-1-carbodithioic Acid
Property Insights of 4-methylpiperidine-1-carbodithioic Acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methylpiperidine-1-carbodithioic Acid. With a topological polar surface area (TPSA) of 36.3 Ų, 4-methylpiperidine-1-carbodithioic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methylpiperidine-1-carbodithioic Acid 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 4-methylpiperidine-1-carbodithioic Acid?
The CAS number of 4-methylpiperidine-1-carbodithioic Acid is 45798-02-5.
What is the molecular formula of 4-methylpiperidine-1-carbodithioic Acid?
The molecular formula of 4-methylpiperidine-1-carbodithioic Acid is C7H13NS2.
What is the molecular weight of 4-methylpiperidine-1-carbodithioic Acid?
The molecular weight of 4-methylpiperidine-1-carbodithioic Acid is 175.05 g/mol.
Where can I buy 4-methylpiperidine-1-carbodithioic Acid?
You can request a quote for 4-methylpiperidine-1-carbodithioic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methylpiperidine-1-carbodithioic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-methylpiperidine-1-carbodithioic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.