Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-
TL;DR: Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)- (CAS 135518-34-2) is a chemical compound with molecular formula C13H8FN3S3 and molecular weight 320.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-[(4-fluorophenyl)methylsulfanyl]thieno[3,2-d][1,2]thiazole-5-carbonitrile
Also Known As: Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-, 4-Amino-3-(((4-fluorophenyl)methyl)thio)thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-[(4-fluorophenyl)methylsulfanyl]thieno[3,2-d][1,2]thiazole-5-carbonitrile, THIENO[3,2-D]ISOTHIAZOLE-5-CARBONITRILE,4-AMINO-3-[[(4-FLUOROPHENYL)METHYL]THIO]-, 4-AMINO-3-{[(4-FLUOROPHENYL)METHYL]SULFANYL}THIENO[3,2-D][1,2]THIAZOLE-5-CARBONITRILE
| Molecular Formula | C13H8FN3S3 |
|---|---|
| Molecular Weight | 320.99 g/mol |
| LogP | 4.24308 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.98645 |
| Heavy Atoms | 20 |
| Complexity | 798.731 |
Chemical Identifiers
| CAS Number | 135518-34-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NSC3=C2C(=C(S3)C#N)N)F |
Product Overview
Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)- (CAS 135518-34-2), with molecular formula C13H8FN3S3 and molecular weight 320.99 g/mol. IUPAC: 4-amino-3-[(4-fluorophenyl)methylsulfanyl]thieno[3,2-d][1,2]thiazole-5-carbonitrile.
Chemical Property Profile of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-
Property Insights of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-
The XLogP value of 4.24308 indicates that Thieno(3,2-d)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 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-. Following Lipinski's Rule of Five, Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)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 Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-?
The CAS number of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)- is 135518-34-2.
What is the molecular formula of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-?
The molecular formula of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)- is C13H8FN3S3.
What is the molecular weight of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-?
The molecular weight of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)- is 320.99 g/mol.
Where can I buy Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-?
You can request a quote for Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(((4-fluorophenyl)methyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.