(4-Phenyldiazenylphenyl) thiocyanate
TL;DR: (4-Phenyldiazenylphenyl) thiocyanate (CAS 18277-90-2) 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.
(4-phenyldiazenylphenyl) thiocyanate
Also Known As: 4-Thiocyanatoazobenzene, (4-phenyldiazenylphenyl) thiocyanate, Thiocyanic acid p-(phenylazo)phenyl ester, 4-[(E)-Phenyldiazenyl]phenyl thiocyanate, 4-[(E)-Phenyldiazenyl]phenyl thiocyanate #
| Molecular Formula | C13H9N3S |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.05171 |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 18277-90-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=NC2=CC=C(C=C2)SC#N |
| InChIKey | HKXXOWHYXNHJKN-UHFFFAOYSA-N |
Product Overview
(4-Phenyldiazenylphenyl) thiocyanate (CAS 18277-90-2), with molecular formula C13H9N3S and molecular weight 239.05 g/mol. IUPAC: (4-phenyldiazenylphenyl) thiocyanate.
Chemical Property Profile of (4-Phenyldiazenylphenyl) thiocyanate
Property Insights of (4-Phenyldiazenylphenyl) thiocyanate
The XLogP value of 4.7 indicates that (4-Phenyldiazenylphenyl) thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Phenyldiazenylphenyl) thiocyanate. Following Lipinski's Rule of Five, (4-Phenyldiazenylphenyl) thiocyanate 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 (4-Phenyldiazenylphenyl) thiocyanate?
The CAS number of (4-Phenyldiazenylphenyl) thiocyanate is 18277-90-2.
What is the molecular formula of (4-Phenyldiazenylphenyl) thiocyanate?
The molecular formula of (4-Phenyldiazenylphenyl) thiocyanate is C13H9N3S.
What is the molecular weight of (4-Phenyldiazenylphenyl) thiocyanate?
The molecular weight of (4-Phenyldiazenylphenyl) thiocyanate is 239.05 g/mol.
Where can I buy (4-Phenyldiazenylphenyl) thiocyanate?
You can request a quote for (4-Phenyldiazenylphenyl) thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Phenyldiazenylphenyl) thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (4-Phenyldiazenylphenyl) thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.