3(2H)-Isothiazolone, 4,5-dichloro-
TL;DR: 3(2H)-Isothiazolone, 4,5-dichloro- (CAS 25658-72-4) is a chemical compound with molecular formula C3HCl2NOS and molecular weight 168.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichloro-1,2-thiazol-3-one
Also Known As: 4,5-Dichloro-3-hydroxyisothiazole, 4,5-dichloro-1,2-thiazol-3-one, 4,5-Dichloro-3-isothiazolol, 3(2H)-Isothiazolone, 4,5-dichloro-, 4,5-Dichloro-3(2H)-isothiazolone
| Molecular Formula | C3HCl2NOS |
|---|---|
| Molecular Weight | 168.92 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.91559 |
| Heavy Atoms | 8 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 25658-72-4 |
|---|---|
| SMILES | C1(=C(SNC1=O)Cl)Cl |
| InChIKey | CHOQQUKTKZBUOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3(2H)-Isothiazolone, 4,5-dichloro- (CAS 25658-72-4), with molecular formula C3HCl2NOS and molecular weight 168.92 g/mol. IUPAC: 4,5-dichloro-1,2-thiazol-3-one.
Chemical Property Profile of 3(2H)-Isothiazolone, 4,5-dichloro-
Property Insights of 3(2H)-Isothiazolone, 4,5-dichloro-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Isothiazolone, 4,5-dichloro-. With a topological polar surface area (TPSA) of 54.4 Ų, 3(2H)-Isothiazolone, 4,5-dichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(2H)-Isothiazolone, 4,5-dichloro- 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 3(2H)-Isothiazolone, 4,5-dichloro-?
The CAS number of 3(2H)-Isothiazolone, 4,5-dichloro- is 25658-72-4.
What is the molecular formula of 3(2H)-Isothiazolone, 4,5-dichloro-?
The molecular formula of 3(2H)-Isothiazolone, 4,5-dichloro- is C3HCl2NOS.
What is the molecular weight of 3(2H)-Isothiazolone, 4,5-dichloro-?
The molecular weight of 3(2H)-Isothiazolone, 4,5-dichloro- is 168.92 g/mol.
Where can I buy 3(2H)-Isothiazolone, 4,5-dichloro-?
You can request a quote for 3(2H)-Isothiazolone, 4,5-dichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2H)-Isothiazolone, 4,5-dichloro-?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Isothiazolone, 4,5-dichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.