2-(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile
TL;DR: 2-(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile (CAS 157764-03-9) is a chemical compound with molecular formula C9H5ClN2S and molecular weight 207.98619 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5-chloro-1,3-benzothiazol-2-yl)acetonitrile
Also Known As: 2-(5-chloro-1,3-benzothiazol-2-yl)acetonitrile, 2-(5-chlorobenzo[d]thiazol-2-yl)acetonitrile, (5-chloro-1,3-benzothiazol-2-yl)acetonitrile, 5-Chloro-2-benzothiazoleacetonitrile, 2-Benzothiazoleacetonitrile,5-chloro-(9CI)
Technical Specifications
| Molecular Formula | C9H5ClN2S |
| Molecular Weight | 207.98619 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.98619 Da |
| Heavy Atoms | 13 |
| Complexity | 237.0 |
| SMILES | C1=CC2=C(C=C1Cl)N=C(S2)CC#N |
| InChIKey | GCOTWHHKZPEEEV-UHFFFAOYSA-N |
Chemical Property Profile of 2-(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile
Property Insights of 2-(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile. Following Lipinski's Rule of Five, 2-(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile?
The CAS number of 2-(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile is 157764-03-9.
What is the molecular formula of 2-(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile?
The molecular formula of 2-(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile is C9H5ClN2S.
What is the molecular weight of 2-(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile?
The molecular weight of 2-(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile is 207.98619 g/mol.
Where can I buy 2-(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile?
You can request a quote for 2-(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(5-Chloro-1,3-benzothiazol-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.