![2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile structure](/static/products/1121/112146-11-9.webp)
2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile
TL;DR: 2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile (CAS 112146-11-9) is a chemical compound with molecular formula C10H5F3N2S and molecular weight 242.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile
Also Known As: 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile, IFLab1_003610, IDI1_009717, [5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile, 2-benzothiazoleacetonitrile, 5-(trifluoromethyl)-
| Molecular Formula | C10H5F3N2S |
|---|---|
| Molecular Weight | 242.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.01256 |
| Heavy Atoms | 16 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 112146-11-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CC#N |
| InChIKey | QBZYAWYXEIFDQV-UHFFFAOYSA-N |
Product Overview
2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile (CAS 112146-11-9), with molecular formula C10H5F3N2S and molecular weight 242.01 g/mol. IUPAC: 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile.
Chemical Property Profile of 2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile
Property Insights of 2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile
The XLogP value of 3.0 indicates that 2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile. Following Lipinski's Rule of Five, 2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile has 0 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 2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile?
The CAS number of 2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile is 112146-11-9.
What is the molecular formula of 2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile?
The molecular formula of 2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile is C10H5F3N2S.
What is the molecular weight of 2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile?
The molecular weight of 2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile is 242.01 g/mol.
Where can I buy 2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile?
You can request a quote for 2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.