3-Oxo-3-(pyrrolidin-1-yl)propyl carbamodithioate
TL;DR: 3-Oxo-3-(pyrrolidin-1-yl)propyl carbamodithioate (CAS 77052-73-4) is a chemical compound with molecular formula C8H14N2OS2 and molecular weight 218.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxo-3-pyrrolidin-1-ylpropyl) carbamodithioate
Also Known As: 3-Oxo-3-(pyrrolidin-1-yl)propyl carbamodithioate, 3-Oxo-3-pyrrolidin-1-ylpropyl dithiocarbamate, (3-oxo-3-pyrrolidin-1-ylpropyl) carbamodithioate, (3-oxo-3-pyrrolidin-1-yl-propyl) carbamodithioate, RefChem:281517
| Molecular Formula | C8H14N2OS2 |
|---|---|
| Molecular Weight | 218.05 g/mol |
| LogP | 0.9757 |
| Topological Polar Surface Area | 46.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.05475 |
| Heavy Atoms | 13 |
| Complexity | 202.32071 |
Chemical Identifiers
| CAS Number | 77052-73-4 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CCSC(=S)N |
Product Overview
3-Oxo-3-(pyrrolidin-1-yl)propyl carbamodithioate (CAS 77052-73-4), with molecular formula C8H14N2OS2 and molecular weight 218.05 g/mol. IUPAC: (3-oxo-3-pyrrolidin-1-ylpropyl) carbamodithioate.
Chemical Property Profile of 3-Oxo-3-(pyrrolidin-1-yl)propyl carbamodithioate
Property Insights of 3-Oxo-3-(pyrrolidin-1-yl)propyl carbamodithioate
The XLogP value of 0.9757 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-3-(pyrrolidin-1-yl)propyl carbamodithioate. With a topological polar surface area (TPSA) of 46.33 Ų, 3-Oxo-3-(pyrrolidin-1-yl)propyl carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-3-(pyrrolidin-1-yl)propyl carbamodithioate 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 3-Oxo-3-(pyrrolidin-1-yl)propyl carbamodithioate?
The CAS number of 3-Oxo-3-(pyrrolidin-1-yl)propyl carbamodithioate is 77052-73-4.
What is the molecular formula of 3-Oxo-3-(pyrrolidin-1-yl)propyl carbamodithioate?
The molecular formula of 3-Oxo-3-(pyrrolidin-1-yl)propyl carbamodithioate is C8H14N2OS2.
What is the molecular weight of 3-Oxo-3-(pyrrolidin-1-yl)propyl carbamodithioate?
The molecular weight of 3-Oxo-3-(pyrrolidin-1-yl)propyl carbamodithioate is 218.05 g/mol.
Where can I buy 3-Oxo-3-(pyrrolidin-1-yl)propyl carbamodithioate?
You can request a quote for 3-Oxo-3-(pyrrolidin-1-yl)propyl carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-3-(pyrrolidin-1-yl)propyl carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-3-(pyrrolidin-1-yl)propyl carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.