10,11-Dithiocyanatoundecanoic acid
TL;DR: 10,11-Dithiocyanatoundecanoic acid (CAS 55602-15-8) is a chemical compound with molecular formula C13H20N2O2S2 and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,11-dithiocyanatoundecanoic acid
Also Known As: 10,11-dithiocyanatoundecanoic acid, Undecanoic acid,10,11-dithiocyanato-, 10,11-Bis(thiocyanato)undecanoic acid
| Molecular Formula | C13H20N2O2S2 |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 300.09662 |
| Heavy Atoms | 19 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 55602-15-8 |
|---|---|
| SMILES | C(CCCCC(=O)O)CCCC(CSC#N)SC#N |
| InChIKey | MCKZBAZVXYPKPJ-UHFFFAOYSA-N |
Product Overview
10,11-Dithiocyanatoundecanoic acid (CAS 55602-15-8), with molecular formula C13H20N2O2S2 and molecular weight 300.10 g/mol. IUPAC: 10,11-dithiocyanatoundecanoic acid.
Chemical Property Profile of 10,11-Dithiocyanatoundecanoic acid
Property Insights of 10,11-Dithiocyanatoundecanoic acid
The XLogP value of 4.4 indicates that 10,11-Dithiocyanatoundecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 10,11-Dithiocyanatoundecanoic acid. Following Lipinski's Rule of Five, 10,11-Dithiocyanatoundecanoic acid 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 10,11-Dithiocyanatoundecanoic acid?
The CAS number of 10,11-Dithiocyanatoundecanoic acid is 55602-15-8.
What is the molecular formula of 10,11-Dithiocyanatoundecanoic acid?
The molecular formula of 10,11-Dithiocyanatoundecanoic acid is C13H20N2O2S2.
What is the molecular weight of 10,11-Dithiocyanatoundecanoic acid?
The molecular weight of 10,11-Dithiocyanatoundecanoic acid is 300.10 g/mol.
Where can I buy 10,11-Dithiocyanatoundecanoic acid?
You can request a quote for 10,11-Dithiocyanatoundecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10,11-Dithiocyanatoundecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 10,11-Dithiocyanatoundecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.