N-Cyclohexyl-N-(2-hydroxy-3-sulfonatopropyl)dithiocarbamate
TL;DR: N-Cyclohexyl-N-(2-hydroxy-3-sulfonatopropyl)dithiocarbamate (CAS 112805-09-1) is a chemical compound with molecular formula C10H17NNa2O4S3 and molecular weight 357.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3-[cyclohexyl(sulfidocarbothioyl)amino]-2-hydroxypropane-1-sulfonate
Also Known As: Capso-dtc, 1-Propanesulfonic acid, 3-(cyclohexyl(dithiocarboxy)amino)-2-hydroxy-, disodium salt, N-Cyclohexyl-N-(2-hydroxy-3-sulfonatopropyl)dithiocarbamate, disodium;3-[cyclohexyl(sulfidocarbothioyl)amino]-2-hydroxypropane-1-sulfonate, 3-[cyclohexyl(sulfidocarbothioyl)amino]-2-hydroxypropane-1-sulfonate
| Molecular Formula | C10H17NNa2O4S3 |
|---|---|
| Molecular Weight | 357.01 g/mol |
| LogP | -5.633 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.0115 |
| Heavy Atoms | 20 |
| Complexity | 387.96393 |
Chemical Identifiers
| CAS Number | 112805-09-1 |
|---|---|
| SMILES | C1CCC(CC1)N(CC(CS(=O)(=O)[O-])O)C(=S)[S-].[Na+].[Na+] |
Product Overview
N-Cyclohexyl-N-(2-hydroxy-3-sulfonatopropyl)dithiocarbamate (CAS 112805-09-1), with molecular formula C10H17NNa2O4S3 and molecular weight 357.01 g/mol. IUPAC: disodium;3-[cyclohexyl(sulfidocarbothioyl)amino]-2-hydroxypropane-1-sulfonate.
Chemical Property Profile of N-Cyclohexyl-N-(2-hydroxy-3-sulfonatopropyl)dithiocarbamate
Property Insights of N-Cyclohexyl-N-(2-hydroxy-3-sulfonatopropyl)dithiocarbamate
The XLogP value of -5.633 indicates that N-Cyclohexyl-N-(2-hydroxy-3-sulfonatopropyl)dithiocarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Cyclohexyl-N-(2-hydroxy-3-sulfonatopropyl)dithiocarbamate. Following Lipinski's Rule of Five, N-Cyclohexyl-N-(2-hydroxy-3-sulfonatopropyl)dithiocarbamate has 1 hydrogen bond donor(s) and 6 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 N-Cyclohexyl-N-(2-hydroxy-3-sulfonatopropyl)dithiocarbamate?
The CAS number of N-Cyclohexyl-N-(2-hydroxy-3-sulfonatopropyl)dithiocarbamate is 112805-09-1.
What is the molecular formula of N-Cyclohexyl-N-(2-hydroxy-3-sulfonatopropyl)dithiocarbamate?
The molecular formula of N-Cyclohexyl-N-(2-hydroxy-3-sulfonatopropyl)dithiocarbamate is C10H17NNa2O4S3.
What is the molecular weight of N-Cyclohexyl-N-(2-hydroxy-3-sulfonatopropyl)dithiocarbamate?
The molecular weight of N-Cyclohexyl-N-(2-hydroxy-3-sulfonatopropyl)dithiocarbamate is 357.01 g/mol.
Where can I buy N-Cyclohexyl-N-(2-hydroxy-3-sulfonatopropyl)dithiocarbamate?
You can request a quote for N-Cyclohexyl-N-(2-hydroxy-3-sulfonatopropyl)dithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Cyclohexyl-N-(2-hydroxy-3-sulfonatopropyl)dithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for N-Cyclohexyl-N-(2-hydroxy-3-sulfonatopropyl)dithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.