Decyl 2-(N,N-dimethylthiocarbamoylthio)acetate
TL;DR: Decyl 2-(N,N-dimethylthiocarbamoylthio)acetate (CAS 294653-59-1) is a chemical compound with molecular formula C15H29NO2S2 and molecular weight 319.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 2-(dimethylcarbamothioylsulfanyl)acetate
Also Known As: BAS 00114570, Decyl 2-(N,N-dimethylthiocarbamoylthio)acetate, decyl 2-((dimethylcarbamothioyl)thio)acetate, decyl [(dimethylcarbamothioyl)sulfanyl]acetate, decyl 2-(dimethylcarbamothioylsulfanyl)acetate
| Molecular Formula | C15H29NO2S2 |
|---|---|
| Molecular Weight | 319.16 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 319.16397 |
| Heavy Atoms | 20 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 294653-59-1 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)CSC(=S)N(C)C |
| InChIKey | GFABOMKMTQKZPY-UHFFFAOYSA-N |
Product Overview
Decyl 2-(N,N-dimethylthiocarbamoylthio)acetate (CAS 294653-59-1), with molecular formula C15H29NO2S2 and molecular weight 319.16 g/mol. IUPAC: decyl 2-(dimethylcarbamothioylsulfanyl)acetate.
Chemical Property Profile of Decyl 2-(N,N-dimethylthiocarbamoylthio)acetate
Property Insights of Decyl 2-(N,N-dimethylthiocarbamoylthio)acetate
The XLogP value of 5.7 indicates that Decyl 2-(N,N-dimethylthiocarbamoylthio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Decyl 2-(N,N-dimethylthiocarbamoylthio)acetate. Following Lipinski's Rule of Five, Decyl 2-(N,N-dimethylthiocarbamoylthio)acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Decyl 2-(N,N-dimethylthiocarbamoylthio)acetate?
The CAS number of Decyl 2-(N,N-dimethylthiocarbamoylthio)acetate is 294653-59-1.
What is the molecular formula of Decyl 2-(N,N-dimethylthiocarbamoylthio)acetate?
The molecular formula of Decyl 2-(N,N-dimethylthiocarbamoylthio)acetate is C15H29NO2S2.
What is the molecular weight of Decyl 2-(N,N-dimethylthiocarbamoylthio)acetate?
The molecular weight of Decyl 2-(N,N-dimethylthiocarbamoylthio)acetate is 319.16 g/mol.
Where can I buy Decyl 2-(N,N-dimethylthiocarbamoylthio)acetate?
You can request a quote for Decyl 2-(N,N-dimethylthiocarbamoylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decyl 2-(N,N-dimethylthiocarbamoylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Decyl 2-(N,N-dimethylthiocarbamoylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.