3-(((2,4-Dichlorophenyl)methyl)thio)-5-methyl-4-isothiazolecarbonitrile
TL;DR: 3-(((2,4-Dichlorophenyl)methyl)thio)-5-methyl-4-isothiazolecarbonitrile (CAS 338778-63-5) is a chemical compound with molecular formula C12H8Cl2N2S2 and molecular weight 313.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,2-thiazole-4-carbonitrile
Also Known As: 3-[(2,4-dichlorobenzyl)sulfanyl]-5-methyl-4-isothiazolecarbonitrile, 3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-methyl-1,2-thiazole-4-carbonitrile, 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,2-thiazole-4-carbonitrile, 3-[[(2,4-Dichlorophenyl)methyl]thio]-5-methyl-4-isothiazolecarbonitrile, 3-(2,4-Dichlorobenzyl)sulfanyl-5-methyl-4-isothiazolecarbonitrile
| Molecular Formula | C12H8Cl2N2S2 |
|---|---|
| Molecular Weight | 313.95 g/mol |
| LogP | 4.9223 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.9506 |
| Heavy Atoms | 18 |
| Complexity | 617.0253 |
Chemical Identifiers
| CAS Number | 338778-63-5 |
|---|---|
| SMILES | CC1=C(C(=NS1)SCC2=C(C=C(C=C2)Cl)Cl)C#N |
Product Overview
3-(((2,4-Dichlorophenyl)methyl)thio)-5-methyl-4-isothiazolecarbonitrile (CAS 338778-63-5), with molecular formula C12H8Cl2N2S2 and molecular weight 313.95 g/mol. IUPAC: 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3-(((2,4-Dichlorophenyl)methyl)thio)-5-methyl-4-isothiazolecarbonitrile
Property Insights of 3-(((2,4-Dichlorophenyl)methyl)thio)-5-methyl-4-isothiazolecarbonitrile
The XLogP value of 4.9223 indicates that 3-(((2,4-Dichlorophenyl)methyl)thio)-5-methyl-4-isothiazolecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 3-(((2,4-Dichlorophenyl)methyl)thio)-5-methyl-4-isothiazolecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(((2,4-Dichlorophenyl)methyl)thio)-5-methyl-4-isothiazolecarbonitrile has 0 hydrogen bond donor(s) and 4 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-(((2,4-Dichlorophenyl)methyl)thio)-5-methyl-4-isothiazolecarbonitrile?
The CAS number of 3-(((2,4-Dichlorophenyl)methyl)thio)-5-methyl-4-isothiazolecarbonitrile is 338778-63-5.
What is the molecular formula of 3-(((2,4-Dichlorophenyl)methyl)thio)-5-methyl-4-isothiazolecarbonitrile?
The molecular formula of 3-(((2,4-Dichlorophenyl)methyl)thio)-5-methyl-4-isothiazolecarbonitrile is C12H8Cl2N2S2.
What is the molecular weight of 3-(((2,4-Dichlorophenyl)methyl)thio)-5-methyl-4-isothiazolecarbonitrile?
The molecular weight of 3-(((2,4-Dichlorophenyl)methyl)thio)-5-methyl-4-isothiazolecarbonitrile is 313.95 g/mol.
Where can I buy 3-(((2,4-Dichlorophenyl)methyl)thio)-5-methyl-4-isothiazolecarbonitrile?
You can request a quote for 3-(((2,4-Dichlorophenyl)methyl)thio)-5-methyl-4-isothiazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(((2,4-Dichlorophenyl)methyl)thio)-5-methyl-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(((2,4-Dichlorophenyl)methyl)thio)-5-methyl-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.