2-甲基哌嗪-1-二硫代甲酸
TL;DR: 2-甲基哌嗪-1-二硫代甲酸 (CAS 5943-90-8) is a chemical compound with molecular formula C6H12N2S2 and molecular weight 176.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基哌嗪-1-二硫代甲酸
2-methylpiperazine-1-carbodithioic acid
Also Known As: TCMP, 2-Methylpiperazinedithioformic acid, 1-Piperazinecarbodithioic acid, 2-methyl-, 2-Methyl-1-piperazinecarbodithioic acid, 2-methylpiperazine-1-carbodithioic acid
| Molecular Formula | C6H12N2S2 |
|---|---|
| Molecular Weight | 176.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 48.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.04419 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 5943-90-8 |
|---|---|
| SMILES | CC1CNCCN1C(=S)S |
| InChIKey | HLYCTXRRGDDBOW-UHFFFAOYSA-N |
Product Overview
2-甲基哌嗪-1-二硫代甲酸 (CAS 5943-90-8), with molecular formula C6H12N2S2 and molecular weight 176.04 g/mol. IUPAC: 2-methylpiperazine-1-carbodithioic acid.
Chemical Property Profile of 2-甲基哌嗪-1-二硫代甲酸
Property Insights of 2-甲基哌嗪-1-二硫代甲酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基哌嗪-1-二硫代甲酸. With a topological polar surface area (TPSA) of 48.4 Ų, 2-甲基哌嗪-1-二硫代甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基哌嗪-1-二硫代甲酸 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-甲基哌嗪-1-二硫代甲酸?
The CAS number of 2-甲基哌嗪-1-二硫代甲酸 is 5943-90-8.
What is the molecular formula of 2-甲基哌嗪-1-二硫代甲酸?
The molecular formula of 2-甲基哌嗪-1-二硫代甲酸 is C6H12N2S2.
What is the molecular weight of 2-甲基哌嗪-1-二硫代甲酸?
The molecular weight of 2-甲基哌嗪-1-二硫代甲酸 is 176.04 g/mol.
Where can I buy 2-甲基哌嗪-1-二硫代甲酸?
You can request a quote for 2-甲基哌嗪-1-二硫代甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基哌嗪-1-二硫代甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基哌嗪-1-二硫代甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.