5-(Aminomethyl)-3(2H)-isothiazolone
TL;DR: 5-(Aminomethyl)-3(2H)-isothiazolone (CAS 62020-54-6) is a chemical compound with molecular formula C4H6N2OS and molecular weight 130.02008 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(aminomethyl)-1,2-thiazol-3-one
Also Known As: Thiomuscimol, 5-(Aminomethyl)isothiazol-3(2H)-one, 5-Aminomethyl-3-isothiazolol, 5-(aminomethyl)-1,2-thiazol-3-one, Thiomuscimol hydrobromide
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6N2OS |
| Molecular Weight | 130.02008 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 130.02008 Da |
| Heavy Atoms | 8 |
| Complexity | 143.0 |
| SMILES | C1=C(SNC1=O)CN |
| InChIKey | QVBUOPGWPXUAHT-UHFFFAOYSA-N |
Product Description
Applications: 5-(Aminomethyl)-3(2H)-isothiazolone is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 5-(Aminomethyl)-3(2H)-isothiazolone (CAS 62020-54-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
5-(Aminomethyl)-3(2H)-isothiazolone is a pharmaceutical intermediate identified by CAS number 62020-54-6 and the molecular formula C4H6N2OS and a molecular weight of 130.02 g/mol. It is also known as Thiomuscimol and 5-(Aminomethyl)isothiazol-3(2H)-one.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 5-(Aminomethyl)-3(2H)-isothiazolone
Property Insights of 5-(Aminomethyl)-3(2H)-isothiazolone
The XLogP value of -1.3 indicates that 5-(Aminomethyl)-3(2H)-isothiazolone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Aminomethyl)-3(2H)-isothiazolone. Following Lipinski's Rule of Five, 5-(Aminomethyl)-3(2H)-isothiazolone has 2 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 5-(Aminomethyl)-3(2H)-isothiazolone?
The CAS number of 5-(Aminomethyl)-3(2H)-isothiazolone is 62020-54-6.
What is the molecular formula of 5-(Aminomethyl)-3(2H)-isothiazolone?
The molecular formula of 5-(Aminomethyl)-3(2H)-isothiazolone is C4H6N2OS.
What is the molecular weight of 5-(Aminomethyl)-3(2H)-isothiazolone?
The molecular weight of 5-(Aminomethyl)-3(2H)-isothiazolone is 130.02008 g/mol.
What are the applications of 5-(Aminomethyl)-3(2H)-isothiazolone?
5-(Aminomethyl)-3(2H)-isothiazolone is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 5-(Aminomethyl)-3(2H)-isothiazolone (CAS 62020-54-6) with custom synthesis available from milligram to...
Where can I buy 5-(Aminomethyl)-3(2H)-isothiazolone?
You can request a quote for 5-(Aminomethyl)-3(2H)-isothiazolone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Aminomethyl)-3(2H)-isothiazolone?
Yes, CoreyChem provides custom synthesis services for 5-(Aminomethyl)-3(2H)-isothiazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.