![4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate structure](/static/products/3567/356775-78-5.webp)
4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate
TL;DR: 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate (CAS 356775-78-5) is a chemical compound with molecular formula C16H12N4OS2 and molecular weight 340.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate
Also Known As: 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate, [4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate, AO-022/40944121, 2-benzimidazol-2-ylthio-N-(4-cyanothiophenyl)acetamide, 4-{[(1H-benzimidazol-2-ylthio)acetyl]amino}phenyl thiocyanate
| Molecular Formula | C16H12N4OS2 |
|---|---|
| Molecular Weight | 340.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.04526 |
| Heavy Atoms | 23 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 356775-78-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=CC=C(C=C3)SC#N |
| InChIKey | WKWMOGOIIGNHET-UHFFFAOYSA-N |
Product Overview
4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate (CAS 356775-78-5), with molecular formula C16H12N4OS2 and molecular weight 340.05 g/mol. IUPAC: [4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate.
Chemical Property Profile of 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate
Property Insights of 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate
The XLogP value of 3.8 indicates that 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate. Following Lipinski's Rule of Five, 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate has 2 hydrogen bond donor(s) and 5 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-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate?
The CAS number of 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate is 356775-78-5.
What is the molecular formula of 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate?
The molecular formula of 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate is C16H12N4OS2.
What is the molecular weight of 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate?
The molecular weight of 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate is 340.05 g/mol.
Where can I buy 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate?
You can request a quote for 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.