Pyrrolidin-1-ylcarbamodithioic acid
TL;DR: Pyrrolidin-1-ylcarbamodithioic acid (CAS 29595-82-2) is a chemical compound with molecular formula C5H10N2S2 and molecular weight 162.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrrolidin-1-ylcarbamodithioic acid
Also Known As: pyrrolidinedithiocarbamic acid, 1-Pyrrolidinedithiocarbamic acid, pyrrolidin-1-ylcarbamodithioic acid, Pyrrolidine-1-dithiocarbamic acid, Carbamodithioic acid, pyrrolidinyl-
| Molecular Formula | C5H10N2S2 |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 0.8015 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.02853 |
| Heavy Atoms | 9 |
| Complexity | 109.52562 |
Chemical Identifiers
| CAS Number | 29595-82-2 |
|---|---|
| SMILES | C1CCN(C1)NC(=S)S |
Product Overview
Pyrrolidin-1-ylcarbamodithioic acid (CAS 29595-82-2), with molecular formula C5H10N2S2 and molecular weight 162.03 g/mol. IUPAC: pyrrolidin-1-ylcarbamodithioic acid.
Chemical Property Profile of Pyrrolidin-1-ylcarbamodithioic acid
Property Insights of Pyrrolidin-1-ylcarbamodithioic acid
The XLogP value of 0.8015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidin-1-ylcarbamodithioic acid. With a topological polar surface area (TPSA) of 15.27 Ų, Pyrrolidin-1-ylcarbamodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidin-1-ylcarbamodithioic 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 Pyrrolidin-1-ylcarbamodithioic acid?
The CAS number of Pyrrolidin-1-ylcarbamodithioic acid is 29595-82-2.
What is the molecular formula of Pyrrolidin-1-ylcarbamodithioic acid?
The molecular formula of Pyrrolidin-1-ylcarbamodithioic acid is C5H10N2S2.
What is the molecular weight of Pyrrolidin-1-ylcarbamodithioic acid?
The molecular weight of Pyrrolidin-1-ylcarbamodithioic acid is 162.03 g/mol.
Where can I buy Pyrrolidin-1-ylcarbamodithioic acid?
You can request a quote for Pyrrolidin-1-ylcarbamodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidin-1-ylcarbamodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidin-1-ylcarbamodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.