吡咯烷二硫代甲酸
TL;DR: 吡咯烷二硫代甲酸 (CAS 25769-03-3) is a chemical compound with molecular formula C5H9NS2 and molecular weight 147.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡咯烷二硫代甲酸
pyrrolidine-1-carbodithioic acid
Also Known As: Pyrrolidine-1-carbodithioic acid, Pyrrolidine dithiocarbamate, apdc, Pyrrolidine dithiocarbamic acid, PDTC
| Molecular Formula | C5H9NS2 |
|---|---|
| Molecular Weight | 147.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.01764 |
| Heavy Atoms | 8 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 25769-03-3 |
|---|---|
| SMILES | C1CCN(C1)C(=S)S |
| InChIKey | VSWDORGPIHIGNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吡咯烷二硫代甲酸 (CAS 25769-03-3), with molecular formula C5H9NS2 and molecular weight 147.02 g/mol. IUPAC: pyrrolidine-1-carbodithioic acid.
Chemical Property Profile of 吡咯烷二硫代甲酸
Property Insights of 吡咯烷二硫代甲酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吡咯烷二硫代甲酸. With a topological polar surface area (TPSA) of 36.3 Ų, 吡咯烷二硫代甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吡咯烷二硫代甲酸 has 1 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 吡咯烷二硫代甲酸?
The CAS number of 吡咯烷二硫代甲酸 is 25769-03-3.
What is the molecular formula of 吡咯烷二硫代甲酸?
The molecular formula of 吡咯烷二硫代甲酸 is C5H9NS2.
What is the molecular weight of 吡咯烷二硫代甲酸?
The molecular weight of 吡咯烷二硫代甲酸 is 147.02 g/mol.
Where can I buy 吡咯烷二硫代甲酸?
You can request a quote for 吡咯烷二硫代甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡咯烷二硫代甲酸?
Yes, KEHONG BIO provides custom synthesis services for 吡咯烷二硫代甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.