9,10-Dithiocyanatooctadecanoic acid
TL;DR: 9,10-Dithiocyanatooctadecanoic acid (CAS 42877-26-9) is a chemical compound with molecular formula C20H34N2O2S2 and molecular weight 398.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10-dithiocyanatooctadecanoic acid
Also Known As: 9,10-dithiocyanatooctadecanoic acid, Octadecanoic acid,9,10-dithiocyanato-, 9,10-Bis(thiocyanato)octadecanoic acid
| Molecular Formula | C20H34N2O2S2 |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 398.20618 |
| Heavy Atoms | 26 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 42877-26-9 |
|---|---|
| SMILES | CCCCCCCCC(C(CCCCCCCC(=O)O)SC#N)SC#N |
| InChIKey | MGVRCSGLFSAAQZ-UHFFFAOYSA-N |
Product Overview
9,10-Dithiocyanatooctadecanoic acid (CAS 42877-26-9), with molecular formula C20H34N2O2S2 and molecular weight 398.21 g/mol. IUPAC: 9,10-dithiocyanatooctadecanoic acid.
Chemical Property Profile of 9,10-Dithiocyanatooctadecanoic acid
Property Insights of 9,10-Dithiocyanatooctadecanoic acid
The XLogP value of 7.9 indicates that 9,10-Dithiocyanatooctadecanoic 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 9,10-Dithiocyanatooctadecanoic acid. Following Lipinski's Rule of Five, 9,10-Dithiocyanatooctadecanoic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,10-Dithiocyanatooctadecanoic acid?
The CAS number of 9,10-Dithiocyanatooctadecanoic acid is 42877-26-9.
What is the molecular formula of 9,10-Dithiocyanatooctadecanoic acid?
The molecular formula of 9,10-Dithiocyanatooctadecanoic acid is C20H34N2O2S2.
What is the molecular weight of 9,10-Dithiocyanatooctadecanoic acid?
The molecular weight of 9,10-Dithiocyanatooctadecanoic acid is 398.21 g/mol.
Where can I buy 9,10-Dithiocyanatooctadecanoic acid?
You can request a quote for 9,10-Dithiocyanatooctadecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Dithiocyanatooctadecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Dithiocyanatooctadecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.