p,p'-Dithiocyanatodiphenylamine
TL;DR: p,p'-Dithiocyanatodiphenylamine (CAS 5339-39-9) is a chemical compound with molecular formula C14H9N3S2 and molecular weight 283.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-thiocyanatoanilino)phenyl] thiocyanate
Also Known As: p,p-Dithiocyanatodiphenylamine, p,p'-Dithiocyanatodiphenylamine, Diphenylamine, 4,4'-dithiocyano-, 4,4'-Di(thiocyano)diphenylamine, TL 377
| Molecular Formula | C14H9N3S2 |
|---|---|
| Molecular Weight | 283.02 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.0238 |
| Heavy Atoms | 19 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 5339-39-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=CC=C(C=C2)SC#N)SC#N |
| InChIKey | DMKMFHSGKUDHOD-UHFFFAOYSA-N |
Product Overview
p,p'-Dithiocyanatodiphenylamine (CAS 5339-39-9), with molecular formula C14H9N3S2 and molecular weight 283.02 g/mol. IUPAC: [4-(4-thiocyanatoanilino)phenyl] thiocyanate.
Chemical Property Profile of p,p'-Dithiocyanatodiphenylamine
Property Insights of p,p'-Dithiocyanatodiphenylamine
The XLogP value of 4.6 indicates that p,p'-Dithiocyanatodiphenylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for p,p'-Dithiocyanatodiphenylamine. Following Lipinski's Rule of Five, p,p'-Dithiocyanatodiphenylamine has 1 hydrogen bond donor(s) and 5 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 p,p'-Dithiocyanatodiphenylamine?
The CAS number of p,p'-Dithiocyanatodiphenylamine is 5339-39-9.
What is the molecular formula of p,p'-Dithiocyanatodiphenylamine?
The molecular formula of p,p'-Dithiocyanatodiphenylamine is C14H9N3S2.
What is the molecular weight of p,p'-Dithiocyanatodiphenylamine?
The molecular weight of p,p'-Dithiocyanatodiphenylamine is 283.02 g/mol.
Where can I buy p,p'-Dithiocyanatodiphenylamine?
You can request a quote for p,p'-Dithiocyanatodiphenylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p,p'-Dithiocyanatodiphenylamine?
Yes, KEHONG BIO provides custom synthesis services for p,p'-Dithiocyanatodiphenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.