Sodium dibutyldithiocarbamate
TL;DR: Sodium dibutyldithiocarbamate (CAS 13784-85-5) is a chemical compound with molecular formula C9H18NNaS2 and molecular weight 227.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium N,N-dibutylcarbamodithioate
Also Known As: Pennac, Butyl namate, Sodium dibutylcarbamodithioate, Tepidone, Vulcacure NB
| Molecular Formula | C9H18NNaS2 |
|---|---|
| Molecular Weight | 227.08 g/mol |
| LogP | -0.2756 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 227.07784 |
| Heavy Atoms | 13 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 13784-85-5 |
|---|---|
| SMILES | CCCCN(CCCC)C(=S)[S-].[Na+] |
| InChIKey | HUMLQUKVJARKRN-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sodium dibutyldithiocarbamate (CAS 13784-85-5), with molecular formula C9H18NNaS2 and molecular weight 227.08 g/mol. IUPAC: sodium N,N-dibutylcarbamodithioate.
Chemical Property Profile of Sodium dibutyldithiocarbamate
Property Insights of Sodium dibutyldithiocarbamate
The XLogP value of -0.2756 indicates that Sodium dibutyldithiocarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.3 Ų, Sodium dibutyldithiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sodium dibutyldithiocarbamate 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 Sodium dibutyldithiocarbamate?
The CAS number of Sodium dibutyldithiocarbamate is 13784-85-5.
What is the molecular formula of Sodium dibutyldithiocarbamate?
The molecular formula of Sodium dibutyldithiocarbamate is C9H18NNaS2.
What is the molecular weight of Sodium dibutyldithiocarbamate?
The molecular weight of Sodium dibutyldithiocarbamate is 227.08 g/mol.
Where can I buy Sodium dibutyldithiocarbamate?
You can request a quote for Sodium dibutyldithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium dibutyldithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Sodium dibutyldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.