3-Chloro-5-phenylisothiazole-4-carbonitrile
TL;DR: 3-Chloro-5-phenylisothiazole-4-carbonitrile (CAS 28989-23-3) is a chemical compound with molecular formula C10H5ClN2S and molecular weight 219.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-phenyl-1,2-thiazole-4-carbonitrile
Also Known As: 3-CHLORO-5-PHENYLISOTHIAZOLE-4-CARBONITRILE, 3-chloro-5-phenyl-1,2-thiazole-4-carbonitrile, ChemDiv2_000874, 4-Isothiazolecarbonitrile, 3-chloro-5-phenyl-, BIS(4-METHOXYPHENYL)DISULPHIDE
| Molecular Formula | C10H5ClN2S |
|---|---|
| Molecular Weight | 219.99 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.98619 |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 28989-23-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=NS2)Cl)C#N |
| InChIKey | YLULGDCWLXHHOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-5-phenylisothiazole-4-carbonitrile (CAS 28989-23-3), with molecular formula C10H5ClN2S and molecular weight 219.99 g/mol. IUPAC: 3-chloro-5-phenyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3-Chloro-5-phenylisothiazole-4-carbonitrile
Property Insights of 3-Chloro-5-phenylisothiazole-4-carbonitrile
The XLogP value of 3.3 indicates that 3-Chloro-5-phenylisothiazole-4-carbonitrile 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 3-Chloro-5-phenylisothiazole-4-carbonitrile. Following Lipinski's Rule of Five, 3-Chloro-5-phenylisothiazole-4-carbonitrile 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
Frequently Asked Questions
What is the CAS number of 3-Chloro-5-phenylisothiazole-4-carbonitrile?
The CAS number of 3-Chloro-5-phenylisothiazole-4-carbonitrile is 28989-23-3.
What is the molecular formula of 3-Chloro-5-phenylisothiazole-4-carbonitrile?
The molecular formula of 3-Chloro-5-phenylisothiazole-4-carbonitrile is C10H5ClN2S.
What is the molecular weight of 3-Chloro-5-phenylisothiazole-4-carbonitrile?
The molecular weight of 3-Chloro-5-phenylisothiazole-4-carbonitrile is 219.99 g/mol.
Where can I buy 3-Chloro-5-phenylisothiazole-4-carbonitrile?
You can request a quote for 3-Chloro-5-phenylisothiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-5-phenylisothiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-phenylisothiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.