3-Phenylisothiazole
TL;DR: 3-Phenylisothiazole (CAS 10514-34-8) is a chemical compound with molecular formula C9H7NS and molecular weight 161.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-1,2-thiazole
Also Known As: 3-Phenylisothiazole, 3-phenyl-1,2-thiazole, phenylisothiazole, Isothiazole, 3-phenyl-, 3-phenyl-isothiazole
| Molecular Formula | C9H7NS |
|---|---|
| Molecular Weight | 161.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.02992 |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 10514-34-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NSC=C2 |
| InChIKey | QTRJTMPLVIRDHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylisothiazole (CAS 10514-34-8), with molecular formula C9H7NS and molecular weight 161.03 g/mol. IUPAC: 3-phenyl-1,2-thiazole.
Chemical Property Profile of 3-Phenylisothiazole
Property Insights of 3-Phenylisothiazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylisothiazole. With a topological polar surface area (TPSA) of 41.1 Ų, 3-Phenylisothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylisothiazole has 0 hydrogen bond donor(s) and 2 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-Phenylisothiazole?
The CAS number of 3-Phenylisothiazole is 10514-34-8.
What is the molecular formula of 3-Phenylisothiazole?
The molecular formula of 3-Phenylisothiazole is C9H7NS.
What is the molecular weight of 3-Phenylisothiazole?
The molecular weight of 3-Phenylisothiazole is 161.03 g/mol.
Where can I buy 3-Phenylisothiazole?
You can request a quote for 3-Phenylisothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylisothiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylisothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.