![2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile structure](/static/products/7089/708994-56-3.webp)
2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile
TL;DR: 2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile (CAS 708994-56-3) is a chemical compound with molecular formula C17H14N2OS2 and molecular weight 326.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]benzonitrile
Also Known As: 2-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile, 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]benzonitrile, 2-{[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl}benzonitrile
| Molecular Formula | C17H14N2OS2 |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 4.85898 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.05475 |
| Heavy Atoms | 22 |
| Complexity | 836.0364 |
Chemical Identifiers
| CAS Number | 708994-56-3 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=C3C#N |
Product Overview
2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile (CAS 708994-56-3), with molecular formula C17H14N2OS2 and molecular weight 326.05 g/mol. IUPAC: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]benzonitrile.
Chemical Property Profile of 2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile
Property Insights of 2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile
The XLogP value of 4.85898 indicates that 2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, 2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile has 0 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 2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile?
The CAS number of 2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile is 708994-56-3.
What is the molecular formula of 2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile?
The molecular formula of 2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile is C17H14N2OS2.
What is the molecular weight of 2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile?
The molecular weight of 2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile is 326.05 g/mol.
Where can I buy 2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile?
You can request a quote for 2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.