2-Methyl-4-isothiazolin-3-one hydrochloride
TL;DR: 2-Methyl-4-isothiazolin-3-one hydrochloride (CAS 26172-54-3) is a chemical compound with molecular formula C4H6ClNOS and molecular weight 150.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,2-thiazol-3-one;hydrochloride
Also Known As: 2-Methyl-4-isothiazolin-3-one hydrochloride, MIT hydrochloride, Methylisothiazolinone HCl, 2-Methyl-3-isothiazolone hydrochloride, ISOTHIAZOLINONE
| Molecular Formula | C4H6ClNOS |
|---|---|
| Molecular Weight | 150.99 g/mol |
| LogP | 0.87 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.98586 |
| Heavy Atoms | 8 |
| Complexity | 121.0 |
| Solubility | 18.4 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 26172-54-3 |
|---|---|
| SMILES | CN1C(=O)C=CS1.Cl |
| InChIKey | SJXPQSRCFCPWQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-4-isothiazolin-3-one hydrochloride (CAS 26172-54-3), with molecular formula C4H6ClNOS and molecular weight 150.99 g/mol. IUPAC: 2-methyl-1,2-thiazol-3-one;hydrochloride.
Chemical Property Profile of 2-Methyl-4-isothiazolin-3-one hydrochloride
Property Insights of 2-Methyl-4-isothiazolin-3-one hydrochloride
The XLogP value of 0.87 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-isothiazolin-3-one hydrochloride. With a topological polar surface area (TPSA) of 45.6 Ų, 2-Methyl-4-isothiazolin-3-one hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4-isothiazolin-3-one hydrochloride 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 2-Methyl-4-isothiazolin-3-one hydrochloride?
The CAS number of 2-Methyl-4-isothiazolin-3-one hydrochloride is 26172-54-3.
What is the molecular formula of 2-Methyl-4-isothiazolin-3-one hydrochloride?
The molecular formula of 2-Methyl-4-isothiazolin-3-one hydrochloride is C4H6ClNOS.
What is the molecular weight of 2-Methyl-4-isothiazolin-3-one hydrochloride?
The molecular weight of 2-Methyl-4-isothiazolin-3-one hydrochloride is 150.99 g/mol.
Where can I buy 2-Methyl-4-isothiazolin-3-one hydrochloride?
You can request a quote for 2-Methyl-4-isothiazolin-3-one hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-isothiazolin-3-one hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-isothiazolin-3-one hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.