2,4,5-三甲基哌嗪-1-二硫代甲酸
TL;DR: 2,4,5-三甲基哌嗪-1-二硫代甲酸 (CAS 55103-09-8) is a chemical compound with molecular formula C8H16N2S2 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5-三甲基哌嗪-1-二硫代甲酸
2,4,5-trimethylpiperazine-1-carbodithioic acid
Also Known As: 2,4,5-trimethylpiperazine-1-carbodithioic acid, 1-Piperazinecarbodithioic acid, 2,4,5-trimethyl-, 2,4,5-Trimethyl-1-piperazinecarbodithioic acid, 5-23-03-00308 (Beilstein Handbook Reference), 1-Piperazinecarbodithioicacid, 2,4,5-trimethyl-
| Molecular Formula | C8H16N2S2 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.07549 |
| Heavy Atoms | 12 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 55103-09-8 |
|---|---|
| SMILES | CC1CN(C(CN1C(=S)S)C)C |
| InChIKey | LGBYSCYDRCGDMF-UHFFFAOYSA-N |
Product Overview
2,4,5-三甲基哌嗪-1-二硫代甲酸 (CAS 55103-09-8), with molecular formula C8H16N2S2 and molecular weight 204.08 g/mol. IUPAC: 2,4,5-trimethylpiperazine-1-carbodithioic acid.
Chemical Property Profile of 2,4,5-三甲基哌嗪-1-二硫代甲酸
Property Insights of 2,4,5-三甲基哌嗪-1-二硫代甲酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-三甲基哌嗪-1-二硫代甲酸. With a topological polar surface area (TPSA) of 39.6 Ų, 2,4,5-三甲基哌嗪-1-二硫代甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-三甲基哌嗪-1-二硫代甲酸 has 1 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 2,4,5-三甲基哌嗪-1-二硫代甲酸?
The CAS number of 2,4,5-三甲基哌嗪-1-二硫代甲酸 is 55103-09-8.
What is the molecular formula of 2,4,5-三甲基哌嗪-1-二硫代甲酸?
The molecular formula of 2,4,5-三甲基哌嗪-1-二硫代甲酸 is C8H16N2S2.
What is the molecular weight of 2,4,5-三甲基哌嗪-1-二硫代甲酸?
The molecular weight of 2,4,5-三甲基哌嗪-1-二硫代甲酸 is 204.08 g/mol.
Where can I buy 2,4,5-三甲基哌嗪-1-二硫代甲酸?
You can request a quote for 2,4,5-三甲基哌嗪-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 2,4,5-三甲基哌嗪-1-二硫代甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-三甲基哌嗪-1-二硫代甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.