4-Azidophenylisothiocyanate
TL;DR: 4-Azidophenylisothiocyanate (CAS 74261-65-7) is a chemical compound with molecular formula C7H4N4S and molecular weight 176.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azido-4-isothiocyanatobenzene
Also Known As: 4-Azidophenyl isothiocyanate, 1-azido-4-isothiocyanatobenzene, 4-Azidophenylisothiocyanate, N3PhNCS, para-Azidophenyl isothiocyanate
| Molecular Formula | C7H4N4S |
|---|---|
| Molecular Weight | 176.02 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.01567 |
| Heavy Atoms | 12 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 74261-65-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N=C=S)N=[N+]=[N-] |
| InChIKey | XMPGXADJZXSISQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Azidophenylisothiocyanate (CAS 74261-65-7), with molecular formula C7H4N4S and molecular weight 176.02 g/mol. IUPAC: 1-azido-4-isothiocyanatobenzene.
Chemical Property Profile of 4-Azidophenylisothiocyanate
Property Insights of 4-Azidophenylisothiocyanate
The XLogP value of 4.3 indicates that 4-Azidophenylisothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.8 Ų, 4-Azidophenylisothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Azidophenylisothiocyanate 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-Azidophenylisothiocyanate?
The CAS number of 4-Azidophenylisothiocyanate is 74261-65-7.
What is the molecular formula of 4-Azidophenylisothiocyanate?
The molecular formula of 4-Azidophenylisothiocyanate is C7H4N4S.
What is the molecular weight of 4-Azidophenylisothiocyanate?
The molecular weight of 4-Azidophenylisothiocyanate is 176.02 g/mol.
Where can I buy 4-Azidophenylisothiocyanate?
You can request a quote for 4-Azidophenylisothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Azidophenylisothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Azidophenylisothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.