1-(4-Isothiocyanatophenyl)-2-phenyldiazene
TL;DR: 1-(4-Isothiocyanatophenyl)-2-phenyldiazene (CAS 7612-96-6) 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-isothiocyanatophenyl)-phenyldiazene
Also Known As: 4-Phenylazophenyl isothiocyanate, p-Phenylazophenyl isothiocyanate, 4-isothiocyanoazobenzene, 4-Phenylazophenylisothiocyanate, (4-isothiocyanatophenyl)-phenyldiazene
| Molecular Formula | C13H9N3S |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.05171 |
| Heavy Atoms | 17 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 7612-96-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=C=S |
| InChIKey | ZTXNMMXJFVCQPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Isothiocyanatophenyl)-2-phenyldiazene (CAS 7612-96-6), with molecular formula C13H9N3S and molecular weight 239.05 g/mol. IUPAC: (4-isothiocyanatophenyl)-phenyldiazene.
Chemical Property Profile of 1-(4-Isothiocyanatophenyl)-2-phenyldiazene
Property Insights of 1-(4-Isothiocyanatophenyl)-2-phenyldiazene
The XLogP value of 5.5 indicates that 1-(4-Isothiocyanatophenyl)-2-phenyldiazene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Isothiocyanatophenyl)-2-phenyldiazene. Following Lipinski's Rule of Five, 1-(4-Isothiocyanatophenyl)-2-phenyldiazene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Isothiocyanatophenyl)-2-phenyldiazene?
The CAS number of 1-(4-Isothiocyanatophenyl)-2-phenyldiazene is 7612-96-6.
What is the molecular formula of 1-(4-Isothiocyanatophenyl)-2-phenyldiazene?
The molecular formula of 1-(4-Isothiocyanatophenyl)-2-phenyldiazene is C13H9N3S.
What is the molecular weight of 1-(4-Isothiocyanatophenyl)-2-phenyldiazene?
The molecular weight of 1-(4-Isothiocyanatophenyl)-2-phenyldiazene is 239.05 g/mol.
Where can I buy 1-(4-Isothiocyanatophenyl)-2-phenyldiazene?
You can request a quote for 1-(4-Isothiocyanatophenyl)-2-phenyldiazene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Isothiocyanatophenyl)-2-phenyldiazene?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Isothiocyanatophenyl)-2-phenyldiazene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.