Acetamide, 2-((4-cyano-5-(((4-fluorophenyl)methyl)thio)-3-isothiazolyl)thio)-
TL;DR: Acetamide, 2-((4-cyano-5-(((4-fluorophenyl)methyl)thio)-3-isothiazolyl)thio)- (CAS 135489-19-9) is a chemical compound with molecular formula C13H10FN3OS3 and molecular weight 339.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-cyano-5-[(4-fluorophenyl)methylsulfanyl]-1,2-thiazol-3-yl]sulfanyl]acetamide
Also Known As: Acetamide, 2-((4-cyano-5-(((4-fluorophenyl)methyl)thio)-3-isothiazolyl)thio)-, 2-((4-Cyano-5-(((4-fluorophenyl)methyl)thio)-3-isothiazolyl)thio)acetamide, 2-[(4-Cyano-5-{[(4-fluorophenyl)methyl]sulfanyl}-1,2-thiazol-3-yl)sulfanyl]acetamide, 2-[[4-cyano-5-[(4-fluorophenyl)methylsulfanyl]-1,2-thiazol-3-yl]sulfanyl]acetamide, BRN 4269231
| Molecular Formula | C13H10FN3OS3 |
|---|---|
| Molecular Weight | 339.00 g/mol |
| LogP | 3.02358 |
| Topological Polar Surface Area | 79.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.997 |
| Heavy Atoms | 21 |
| Complexity | 678.9602 |
Chemical Identifiers
| CAS Number | 135489-19-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=C(C(=NS2)SCC(=O)N)C#N)F |
Product Overview
Acetamide, 2-((4-cyano-5-(((4-fluorophenyl)methyl)thio)-3-isothiazolyl)thio)- (CAS 135489-19-9), with molecular formula C13H10FN3OS3 and molecular weight 339.00 g/mol. IUPAC: 2-[[4-cyano-5-[(4-fluorophenyl)methylsulfanyl]-1,2-thiazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of Acetamide, 2-((4-cyano-5-(((4-fluorophenyl)methyl)thio)-3-isothiazolyl)thio)-
Property Insights of Acetamide, 2-((4-cyano-5-(((4-fluorophenyl)methyl)thio)-3-isothiazolyl)thio)-
The XLogP value of 3.02358 indicates that Acetamide, 2-((4-cyano-5-(((4-fluorophenyl)methyl)thio)-3-isothiazolyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, 2-((4-cyano-5-(((4-fluorophenyl)methyl)thio)-3-isothiazolyl)thio)-. Following Lipinski's Rule of Five, Acetamide, 2-((4-cyano-5-(((4-fluorophenyl)methyl)thio)-3-isothiazolyl)thio)- has 1 hydrogen bond donor(s) and 6 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 Acetamide, 2-((4-cyano-5-(((4-fluorophenyl)methyl)thio)-3-isothiazolyl)thio)-?
The CAS number of Acetamide, 2-((4-cyano-5-(((4-fluorophenyl)methyl)thio)-3-isothiazolyl)thio)- is 135489-19-9.
What is the molecular formula of Acetamide, 2-((4-cyano-5-(((4-fluorophenyl)methyl)thio)-3-isothiazolyl)thio)-?
The molecular formula of Acetamide, 2-((4-cyano-5-(((4-fluorophenyl)methyl)thio)-3-isothiazolyl)thio)- is C13H10FN3OS3.
What is the molecular weight of Acetamide, 2-((4-cyano-5-(((4-fluorophenyl)methyl)thio)-3-isothiazolyl)thio)-?
The molecular weight of Acetamide, 2-((4-cyano-5-(((4-fluorophenyl)methyl)thio)-3-isothiazolyl)thio)- is 339.00 g/mol.
Where can I buy Acetamide, 2-((4-cyano-5-(((4-fluorophenyl)methyl)thio)-3-isothiazolyl)thio)-?
You can request a quote for Acetamide, 2-((4-cyano-5-(((4-fluorophenyl)methyl)thio)-3-isothiazolyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, 2-((4-cyano-5-(((4-fluorophenyl)methyl)thio)-3-isothiazolyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, 2-((4-cyano-5-(((4-fluorophenyl)methyl)thio)-3-isothiazolyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.