异噻唑啉酮
TL;DR: 异噻唑啉酮 (CAS 1003-07-2) is a chemical compound with molecular formula C3H3NOS and molecular weight 100.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异噻唑啉酮
1,2-thiazol-3-one
Also Known As: Isothiazol-3(2H)-one, 3(2H)-Isothiazolone, 3-Isothiazolone, isothiazol-3-ol, Isothiazol-3-one
| Molecular Formula | C3H3NOS |
|---|---|
| Molecular Weight | 100.99 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.99354 |
| Heavy Atoms | 6 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 1003-07-2 |
|---|---|
| SMILES | C1=CSNC1=O |
| InChIKey | MGIYRDNGCNKGJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异噻唑啉酮 (CAS 1003-07-2), with molecular formula C3H3NOS and molecular weight 100.99 g/mol. IUPAC: 1,2-thiazol-3-one.
Chemical Property Profile of 异噻唑啉酮
Property Insights of 异噻唑啉酮
The XLogP value of -0.1 indicates that 异噻唑啉酮 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, 异噻唑啉酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异噻唑啉酮 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
Frequently Asked Questions
What is the CAS number of 异噻唑啉酮?
The CAS number of 异噻唑啉酮 is 1003-07-2.
What is the molecular formula of 异噻唑啉酮?
The molecular formula of 异噻唑啉酮 is C3H3NOS.
What is the molecular weight of 异噻唑啉酮?
The molecular weight of 异噻唑啉酮 is 100.99 g/mol.
Where can I buy 异噻唑啉酮?
You can request a quote for 异噻唑啉酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异噻唑啉酮?
Yes, KEHONG BIO provides custom synthesis services for 异噻唑啉酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.