1-Piperidinylcarbamodithioic acid
TL;DR: 1-Piperidinylcarbamodithioic acid (CAS 98-99-7) 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.
piperidin-1-ylcarbamodithioic acid
Also Known As: Piperidinodithiocarbamic acid, 1-Piperidinylcarbamodithioic acid, piperidinedithiocarbamic acid, Dithio-1-piperidinecarbamic acid, 1-Piperidinecarbamic acid, dithio-
| Molecular Formula | C6H12N2S2 |
|---|---|
| Molecular Weight | 176.04 g/mol |
| LogP | 1.1916 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.04419 |
| Heavy Atoms | 10 |
| Complexity | 120.91622 |
Chemical Identifiers
| CAS Number | 98-99-7 |
|---|---|
| SMILES | C1CCN(CC1)NC(=S)S |
Product Overview
1-Piperidinylcarbamodithioic acid (CAS 98-99-7), with molecular formula C6H12N2S2 and molecular weight 176.04 g/mol. IUPAC: piperidin-1-ylcarbamodithioic acid.
Chemical Property Profile of 1-Piperidinylcarbamodithioic acid
Property Insights of 1-Piperidinylcarbamodithioic acid
The XLogP value of 1.1916 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperidinylcarbamodithioic acid. With a topological polar surface area (TPSA) of 15.27 Ų, 1-Piperidinylcarbamodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperidinylcarbamodithioic acid has 2 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 1-Piperidinylcarbamodithioic acid?
The CAS number of 1-Piperidinylcarbamodithioic acid is 98-99-7.
What is the molecular formula of 1-Piperidinylcarbamodithioic acid?
The molecular formula of 1-Piperidinylcarbamodithioic acid is C6H12N2S2.
What is the molecular weight of 1-Piperidinylcarbamodithioic acid?
The molecular weight of 1-Piperidinylcarbamodithioic acid is 176.04 g/mol.
Where can I buy 1-Piperidinylcarbamodithioic acid?
You can request a quote for 1-Piperidinylcarbamodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperidinylcarbamodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperidinylcarbamodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.