Thiocyanic acid, 2-(phenylazo)phenyl ester
TL;DR: Thiocyanic acid, 2-(phenylazo)phenyl ester (CAS 22030-83-7) is a chemical compound with molecular formula C13H9N3S and molecular weight 239.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-phenyldiazenylphenyl) thiocyanate
Also Known As: 2-thiocyanatoazobenzene, (2-phenyldiazenylphenyl) thiocyanate, Phenyl-(2-thiocyanatophenyl)diazene, Thiocyanic acid, 2-(phenylazo)phenyl ester, 2-[(E)-Phenyldiazenyl]phenyl thiocyanate
| Molecular Formula | C13H9N3S |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | 4.67518 |
| Topological Polar Surface Area | 48.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.05171 |
| Heavy Atoms | 17 |
| Complexity | 558.3773 |
Chemical Identifiers
| CAS Number | 22030-83-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=NC2=CC=CC=C2SC#N |
Product Overview
Thiocyanic acid, 2-(phenylazo)phenyl ester (CAS 22030-83-7), with molecular formula C13H9N3S and molecular weight 239.05 g/mol. IUPAC: (2-phenyldiazenylphenyl) thiocyanate.
Chemical Property Profile of Thiocyanic acid, 2-(phenylazo)phenyl ester
Property Insights of Thiocyanic acid, 2-(phenylazo)phenyl ester
The XLogP value of 4.67518 indicates that Thiocyanic acid, 2-(phenylazo)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.51 Ų, Thiocyanic acid, 2-(phenylazo)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiocyanic acid, 2-(phenylazo)phenyl ester has 0 hydrogen bond donor(s) and 4 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 Thiocyanic acid, 2-(phenylazo)phenyl ester?
The CAS number of Thiocyanic acid, 2-(phenylazo)phenyl ester is 22030-83-7.
What is the molecular formula of Thiocyanic acid, 2-(phenylazo)phenyl ester?
The molecular formula of Thiocyanic acid, 2-(phenylazo)phenyl ester is C13H9N3S.
What is the molecular weight of Thiocyanic acid, 2-(phenylazo)phenyl ester?
The molecular weight of Thiocyanic acid, 2-(phenylazo)phenyl ester is 239.05 g/mol.
Where can I buy Thiocyanic acid, 2-(phenylazo)phenyl ester?
You can request a quote for Thiocyanic acid, 2-(phenylazo)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, 2-(phenylazo)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 2-(phenylazo)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.