Dicarboxymethyldithiocarbamate
TL;DR: Dicarboxymethyldithiocarbamate (CAS 16967-72-9) is a chemical compound with molecular formula C5H18N4O5S2 and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triazanium;2-[carboxylatomethyl(sulfidocarbothioyl)amino]acetate;hydrate
Also Known As: Dicarboxymethyldithiocarbamate, DCMDTC, ammonium 2,2'-(dithiocarboxylatoazanediyl)diacetate, ammonium 2,2'-(carbodithioatoimino)diacetate hydrate(3:1:1), Bis(carboxymethyl)dithiocarbamic acid triammonium salt monohydrate
| Molecular Formula | C5H18N4O5S2 |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | -3.0761 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.07187 |
| Heavy Atoms | 16 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 16967-72-9 |
|---|---|
| SMILES | C(C(=O)[O-])N(CC(=O)[O-])C(=S)[S-].[NH4+].[NH4+].[NH4+].O |
| InChIKey | KFAHACPTANYGON-UHFFFAOYSA-N |
Product Overview
Dicarboxymethyldithiocarbamate (CAS 16967-72-9), with molecular formula C5H18N4O5S2 and molecular weight 278.07 g/mol. IUPAC: triazanium;2-[carboxylatomethyl(sulfidocarbothioyl)amino]acetate;hydrate.
Chemical Property Profile of Dicarboxymethyldithiocarbamate
Property Insights of Dicarboxymethyldithiocarbamate
The XLogP value of -3.0761 indicates that Dicarboxymethyldithiocarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dicarboxymethyldithiocarbamate. Following Lipinski's Rule of Five, Dicarboxymethyldithiocarbamate has 4 hydrogen bond donor(s) and 7 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 Dicarboxymethyldithiocarbamate?
The CAS number of Dicarboxymethyldithiocarbamate is 16967-72-9.
What is the molecular formula of Dicarboxymethyldithiocarbamate?
The molecular formula of Dicarboxymethyldithiocarbamate is C5H18N4O5S2.
What is the molecular weight of Dicarboxymethyldithiocarbamate?
The molecular weight of Dicarboxymethyldithiocarbamate is 278.07 g/mol.
Where can I buy Dicarboxymethyldithiocarbamate?
You can request a quote for Dicarboxymethyldithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dicarboxymethyldithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Dicarboxymethyldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.