Isothiazolo(4',3':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)-
TL;DR: Isothiazolo(4',3':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)- (CAS 135518-31-9) is a chemical compound with molecular formula C13H6ClFN4S3 and molecular weight 367.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-3-[(4-fluorophenyl)methylsulfanyl]-4,7-dithia-5,10,11,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene
Also Known As: Isothiazolo(4',3':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)-, 4-Chloro-8-(((4-fluorophenyl)methyl)thio)isothiazolo(4',3':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-[(4-fluorophenyl)methylsulfanyl]-[1,2]thiazolo[1,2]thieno[3,4-b]triazine, 4-Chloro-8-{[(4-fluorophenyl)methyl]sulfanyl}[1,2]thiazolo[4',3':4,5]thieno[3,2-d][1,2,3]triazine, BRN 4271133
| Molecular Formula | C13H6ClFN4S3 |
|---|---|
| Molecular Weight | 367.94 g/mol |
| LogP | 4.7808 |
| Topological Polar Surface Area | 51.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.94272 |
| Heavy Atoms | 22 |
| Complexity | 966.658 |
Chemical Identifiers
| CAS Number | 135518-31-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=C3C4=C(C(=NN=N4)Cl)SC3=NS2)F |
Product Overview
Isothiazolo(4',3':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)- (CAS 135518-31-9), with molecular formula C13H6ClFN4S3 and molecular weight 367.94 g/mol. IUPAC: 9-chloro-3-[(4-fluorophenyl)methylsulfanyl]-4,7-dithia-5,10,11,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene.
Chemical Property Profile of Isothiazolo(4',3':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)-
Property Insights of Isothiazolo(4',3':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)-
The XLogP value of 4.7808 indicates that Isothiazolo(4',3':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.56 Ų, Isothiazolo(4',3':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isothiazolo(4',3':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)- has 0 hydrogen bond donor(s) and 7 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 Isothiazolo(4',3':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)-?
The CAS number of Isothiazolo(4',3':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)- is 135518-31-9.
What is the molecular formula of Isothiazolo(4',3':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)-?
The molecular formula of Isothiazolo(4',3':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)- is C13H6ClFN4S3.
What is the molecular weight of Isothiazolo(4',3':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)-?
The molecular weight of Isothiazolo(4',3':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)- is 367.94 g/mol.
Where can I buy Isothiazolo(4',3':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)-?
You can request a quote for Isothiazolo(4',3':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((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 Isothiazolo(4',3':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Isothiazolo(4',3':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.