![[4-[[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate structure](/static/products/3567/356775-77-4.webp)
[4-[[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate
TL;DR: [4-[[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate (CAS 356775-77-4) is a chemical compound with molecular formula C16H11N3OS3 and molecular weight 357.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate
Also Known As: 2-benzothiazol-2-ylthio-N-(4-cyanothiophenyl)acetamide, [4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate, 2-(benzo[d]thiazol-2-ylthio)-N-(4-thiocyanatophenyl)acetamide, 4-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino}phenyl thiocyanate, 4-{[(1,3-benzothiazol-2-ylthio)acetyl]amino}phenyl thiocyanate
| Molecular Formula | C16H11N3OS3 |
|---|---|
| Molecular Weight | 357.01 g/mol |
| LogP | 4.60028 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.00644 |
| Heavy Atoms | 23 |
| Complexity | 835.1579 |
Chemical Identifiers
| CAS Number | 356775-77-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)SC#N |
Product Overview
[4-[[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate (CAS 356775-77-4), with molecular formula C16H11N3OS3 and molecular weight 357.01 g/mol. IUPAC: [4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate.
Chemical Property Profile of [4-[[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate
Property Insights of [4-[[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate
The XLogP value of 4.60028 indicates that [4-[[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate. Following Lipinski's Rule of Five, [4-[[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate has 1 hydrogen bond donor(s) and 6 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-[[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate?
The CAS number of [4-[[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate is 356775-77-4.
What is the molecular formula of [4-[[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate?
The molecular formula of [4-[[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate is C16H11N3OS3.
What is the molecular weight of [4-[[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate?
The molecular weight of [4-[[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate is 357.01 g/mol.
Where can I buy [4-[[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate?
You can request a quote for [4-[[2-(1,3-Benzothiazol-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-[[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for [4-[[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.