Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-
TL;DR: Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)- (CAS 135518-37-5) is a chemical compound with molecular formula C13H8FN3S3 and molecular weight 320.98645 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-3-[(4-fluorophenyl)methylsulfanyl]thieno[2,3-c][1,2]thiazole-5-carbonitrile
Also Known As: Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-, 4-Amino-3-(((4-fluorophenyl)methyl)thio)thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-[(4-fluorophenyl)methylsulfanyl]thieno[2,3-c][1,2]thiazole-5-carbonitrile, 4-Amino-3-{[(4-fluorophenyl)methyl]sulfanyl}thieno[2,3-c][1,2]thiazole-5-carbonitrile, BRN 4266406
Technical Specifications
| Molecular Formula | C13H8FN3S3 |
| Molecular Weight | 320.98645 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.98645 Da |
| Heavy Atoms | 20 |
| Complexity | 394.0 |
| SMILES | C1=CC(=CC=C1CSC2=C3C(=C(SC3=NS2)C#N)N)F |
| InChIKey | PNPOQNUTWWUXTJ-UHFFFAOYSA-N |
Chemical Property Profile of Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-
Property Insights of Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-
The XLogP value of 4.7 indicates that Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)- has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-?
The CAS number of Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)- is 135518-37-5.
What is the molecular formula of Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-?
The molecular formula of Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)- is C13H8FN3S3.
What is the molecular weight of Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-?
The molecular weight of Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)- is 320.98645 g/mol.
Where can I buy Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-?
You can request a quote for Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-?
Yes, CoreyChem provides custom synthesis services for Thieno(2,3-c)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.