piperazinium, 1,1-dimethyl-4-(dithiocarboxy)-, hydroxide, inner salt
TL;DR: piperazinium, 1,1-dimethyl-4-(dithiocarboxy)-, hydroxide, inner salt (CAS 29140-64-5) is a chemical compound with molecular formula C7H14N2S2 and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethylpiperazin-4-ium-1-carbodithioate
Also Known As: 1-Dithiocarboxy-4,4-dimethylpiperazinium hydroxide, Piperazinium, 1,1-dimethyl-4-(dithiocarboxy)-, hydroxide, inner salt, 1,1-Dimethylpiperazin-1-ium-4-carbodithioate, 4,4-dimethylpiperazin-4-ium-1-carbodithioate, BRN 3948107
| Molecular Formula | C7H14N2S2 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.05984 |
| Heavy Atoms | 11 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 29140-64-5 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)C(=S)[S-])C |
| InChIKey | NTWYRXZVBIXZGM-UHFFFAOYSA-N |
Product Overview
piperazinium, 1,1-dimethyl-4-(dithiocarboxy)-, hydroxide, inner salt (CAS 29140-64-5), with molecular formula C7H14N2S2 and molecular weight 190.06 g/mol. IUPAC: 4,4-dimethylpiperazin-4-ium-1-carbodithioate.
Chemical Property Profile of piperazinium, 1,1-dimethyl-4-(dithiocarboxy)-, hydroxide, inner salt
Property Insights of piperazinium, 1,1-dimethyl-4-(dithiocarboxy)-, hydroxide, inner salt
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for piperazinium, 1,1-dimethyl-4-(dithiocarboxy)-, hydroxide, inner salt. With a topological polar surface area (TPSA) of 36.3 Ų, piperazinium, 1,1-dimethyl-4-(dithiocarboxy)-, hydroxide, inner salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, piperazinium, 1,1-dimethyl-4-(dithiocarboxy)-, hydroxide, inner salt has 0 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 piperazinium, 1,1-dimethyl-4-(dithiocarboxy)-, hydroxide, inner salt?
The CAS number of piperazinium, 1,1-dimethyl-4-(dithiocarboxy)-, hydroxide, inner salt is 29140-64-5.
What is the molecular formula of piperazinium, 1,1-dimethyl-4-(dithiocarboxy)-, hydroxide, inner salt?
The molecular formula of piperazinium, 1,1-dimethyl-4-(dithiocarboxy)-, hydroxide, inner salt is C7H14N2S2.
What is the molecular weight of piperazinium, 1,1-dimethyl-4-(dithiocarboxy)-, hydroxide, inner salt?
The molecular weight of piperazinium, 1,1-dimethyl-4-(dithiocarboxy)-, hydroxide, inner salt is 190.06 g/mol.
Where can I buy piperazinium, 1,1-dimethyl-4-(dithiocarboxy)-, hydroxide, inner salt?
You can request a quote for piperazinium, 1,1-dimethyl-4-(dithiocarboxy)-, hydroxide, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for piperazinium, 1,1-dimethyl-4-(dithiocarboxy)-, hydroxide, inner salt?
Yes, KEHONG BIO provides custom synthesis services for piperazinium, 1,1-dimethyl-4-(dithiocarboxy)-, hydroxide, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.