Isothiazolin-3-one
TL;DR: Isothiazolin-3-one (CAS 1003-07-2) is a chemical compound with molecular formula C3H3NOS and molecular weight 100.99354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-thiazol-3-one
Also Known As: Isothiazol-3(2H)-one, 3(2H)-Isothiazolone, 3-Isothiazolone, isothiazol-3-ol, Isothiazol-3-one
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H3NOS |
| Molecular Weight | 100.99354 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.99354 Da |
| Heavy Atoms | 6 |
| Complexity | 99.0 |
| SMILES | C1=CSNC1=O |
| InChIKey | MGIYRDNGCNKGJU-UHFFFAOYSA-N |
Chemical Property Profile of Isothiazolin-3-one
Property Insights of Isothiazolin-3-one
The XLogP value of -0.1 indicates that Isothiazolin-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.4 Ų, Isothiazolin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isothiazolin-3-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isothiazolin-3-one?
The CAS number of Isothiazolin-3-one is 1003-07-2.
What is the molecular formula of Isothiazolin-3-one?
The molecular formula of Isothiazolin-3-one is C3H3NOS.
What is the molecular weight of Isothiazolin-3-one?
The molecular weight of Isothiazolin-3-one is 100.99354 g/mol.
Where can I buy Isothiazolin-3-one?
You can request a quote for Isothiazolin-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isothiazolin-3-one?
Yes, CoreyChem provides custom synthesis services for Isothiazolin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.