4-hydroxy-N-sulfidobenzonitrilium
TL;DR: 4-hydroxy-N-sulfidobenzonitrilium (CAS 3774-52-5) is a chemical compound with molecular formula C7H5NOS and molecular weight 151.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-N-sulfidobenzonitrilium
Also Known As: p-Thiocyanatophenol, m-Cresol thiocyanate, Phenol, p-thiocyanato-, 4-hydroxy-N-sulfidobenzonitrilium, 4-HYDROXYPHENYL THIOCYANATE
| Molecular Formula | C7H5NOS |
|---|---|
| Molecular Weight | 151.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 25.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.00919 |
| Heavy Atoms | 10 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 3774-52-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C#[N+][S-])O |
| InChIKey | SLKVRBRSBZMWCY-UHFFFAOYSA-N |
Product Overview
4-hydroxy-N-sulfidobenzonitrilium (CAS 3774-52-5), with molecular formula C7H5NOS and molecular weight 151.01 g/mol. IUPAC: 4-hydroxy-N-sulfidobenzonitrilium.
Chemical Property Profile of 4-hydroxy-N-sulfidobenzonitrilium
Property Insights of 4-hydroxy-N-sulfidobenzonitrilium
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-hydroxy-N-sulfidobenzonitrilium. With a topological polar surface area (TPSA) of 25.6 Ų, 4-hydroxy-N-sulfidobenzonitrilium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-hydroxy-N-sulfidobenzonitrilium has 1 hydrogen bond donor(s) and 2 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-hydroxy-N-sulfidobenzonitrilium?
The CAS number of 4-hydroxy-N-sulfidobenzonitrilium is 3774-52-5.
What is the molecular formula of 4-hydroxy-N-sulfidobenzonitrilium?
The molecular formula of 4-hydroxy-N-sulfidobenzonitrilium is C7H5NOS.
What is the molecular weight of 4-hydroxy-N-sulfidobenzonitrilium?
The molecular weight of 4-hydroxy-N-sulfidobenzonitrilium is 151.01 g/mol.
Where can I buy 4-hydroxy-N-sulfidobenzonitrilium?
You can request a quote for 4-hydroxy-N-sulfidobenzonitrilium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-hydroxy-N-sulfidobenzonitrilium?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-N-sulfidobenzonitrilium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.