Butyl N-(2-(butyldithiolcarbonate)ethyl) thiolcarbamate
TL;DR: Butyl N-(2-(butyldithiolcarbonate)ethyl) thiolcarbamate (CAS 28174-18-7) is a chemical compound with molecular formula C12H23NO2S3 and molecular weight 309.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[butan-2-yl(2-sulfanylethyl)carbamoyl]oxy-3-methylbutanedithioic acid
Also Known As: Butyl N-(2-(butyldithiolcarbonate)ethyl) thiolcarbamate, Carbamic acid, N-(2-mercaptoethyl)-, butyl ester, S-ester with S-butyldithiocarbonate, 4-[butan-2-yl(2-sulfanylethyl)carbamoyl]oxy-3-methylbutanedithioic acid, 4-{[(Butan-2-yl)(2-sulfanylethyl)carbamoyl]oxy}-3-methylbutane(dithioic) acid, BRN 1971814
| Molecular Formula | C12H23NO2S3 |
|---|---|
| Molecular Weight | 309.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 309.08908 |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 28174-18-7 |
|---|---|
| SMILES | CCC(C)N(CCS)C(=O)OCC(C)CC(=S)S |
| InChIKey | QMLOVGRDUWEPCW-UHFFFAOYSA-N |
Product Overview
Butyl N-(2-(butyldithiolcarbonate)ethyl) thiolcarbamate (CAS 28174-18-7), with molecular formula C12H23NO2S3 and molecular weight 309.09 g/mol. IUPAC: 4-[butan-2-yl(2-sulfanylethyl)carbamoyl]oxy-3-methylbutanedithioic acid.
Chemical Property Profile of Butyl N-(2-(butyldithiolcarbonate)ethyl) thiolcarbamate
Property Insights of Butyl N-(2-(butyldithiolcarbonate)ethyl) thiolcarbamate
The XLogP value of 3.1 indicates that Butyl N-(2-(butyldithiolcarbonate)ethyl) thiolcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl N-(2-(butyldithiolcarbonate)ethyl) thiolcarbamate. Following Lipinski's Rule of Five, Butyl N-(2-(butyldithiolcarbonate)ethyl) thiolcarbamate has 2 hydrogen bond donor(s) and 5 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 Butyl N-(2-(butyldithiolcarbonate)ethyl) thiolcarbamate?
The CAS number of Butyl N-(2-(butyldithiolcarbonate)ethyl) thiolcarbamate is 28174-18-7.
What is the molecular formula of Butyl N-(2-(butyldithiolcarbonate)ethyl) thiolcarbamate?
The molecular formula of Butyl N-(2-(butyldithiolcarbonate)ethyl) thiolcarbamate is C12H23NO2S3.
What is the molecular weight of Butyl N-(2-(butyldithiolcarbonate)ethyl) thiolcarbamate?
The molecular weight of Butyl N-(2-(butyldithiolcarbonate)ethyl) thiolcarbamate is 309.09 g/mol.
Where can I buy Butyl N-(2-(butyldithiolcarbonate)ethyl) thiolcarbamate?
You can request a quote for Butyl N-(2-(butyldithiolcarbonate)ethyl) thiolcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl N-(2-(butyldithiolcarbonate)ethyl) thiolcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Butyl N-(2-(butyldithiolcarbonate)ethyl) thiolcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.