![2-imino-3-(2-(methylthio)phenyl)hexahydrothieno[3,4-d]thiazole 5,5-dioxide structure](/static/products/899/899409-21-3.png)
2-imino-3-(2-(methylthio)phenyl)hexahydrothieno[3,4-d]thiazole 5,5-dioxide
TL;DR: 2-imino-3-(2-(methylthio)phenyl)hexahydrothieno[3,4-d]thiazole 5,5-dioxide (CAS 899409-21-3) is a chemical compound with molecular formula C12H14N2O2S3 and molecular weight 314.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylsulfanylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-imine
Also Known As: 2-imino-3-(2-(methylthio)phenyl)hexahydrothieno[3,4-d]thiazole 5,5-dioxide, 3-[2-(methylsulfanyl)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-imine 5,5-dioxide, 3-(2-methylsulfanylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-imine
| Molecular Formula | C12H14N2O2S3 |
|---|---|
| Molecular Weight | 314.02 g/mol |
| LogP | 2.06207 |
| Topological Polar Surface Area | 61.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.02173 |
| Heavy Atoms | 19 |
| Complexity | 629.6166 |
Chemical Identifiers
| CAS Number | 899409-21-3 |
|---|---|
| SMILES | CSC1=CC=CC=C1N2C3CS(=O)(=O)CC3SC2=N |
Product Overview
2-imino-3-(2-(methylthio)phenyl)hexahydrothieno[3,4-d]thiazole 5,5-dioxide (CAS 899409-21-3), with molecular formula C12H14N2O2S3 and molecular weight 314.02 g/mol. IUPAC: 3-(2-methylsulfanylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-imine.
Chemical Property Profile of 2-imino-3-(2-(methylthio)phenyl)hexahydrothieno[3,4-d]thiazole 5,5-dioxide
Property Insights of 2-imino-3-(2-(methylthio)phenyl)hexahydrothieno[3,4-d]thiazole 5,5-dioxide
The XLogP value of 2.06207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-imino-3-(2-(methylthio)phenyl)hexahydrothieno[3,4-d]thiazole 5,5-dioxide. The TPSA of 61.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-imino-3-(2-(methylthio)phenyl)hexahydrothieno[3,4-d]thiazole 5,5-dioxide. Following Lipinski's Rule of Five, 2-imino-3-(2-(methylthio)phenyl)hexahydrothieno[3,4-d]thiazole 5,5-dioxide has 1 hydrogen bond donor(s) and 5 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 2-imino-3-(2-(methylthio)phenyl)hexahydrothieno[3,4-d]thiazole 5,5-dioxide?
The CAS number of 2-imino-3-(2-(methylthio)phenyl)hexahydrothieno[3,4-d]thiazole 5,5-dioxide is 899409-21-3.
What is the molecular formula of 2-imino-3-(2-(methylthio)phenyl)hexahydrothieno[3,4-d]thiazole 5,5-dioxide?
The molecular formula of 2-imino-3-(2-(methylthio)phenyl)hexahydrothieno[3,4-d]thiazole 5,5-dioxide is C12H14N2O2S3.
What is the molecular weight of 2-imino-3-(2-(methylthio)phenyl)hexahydrothieno[3,4-d]thiazole 5,5-dioxide?
The molecular weight of 2-imino-3-(2-(methylthio)phenyl)hexahydrothieno[3,4-d]thiazole 5,5-dioxide is 314.02 g/mol.
Where can I buy 2-imino-3-(2-(methylthio)phenyl)hexahydrothieno[3,4-d]thiazole 5,5-dioxide?
You can request a quote for 2-imino-3-(2-(methylthio)phenyl)hexahydrothieno[3,4-d]thiazole 5,5-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-imino-3-(2-(methylthio)phenyl)hexahydrothieno[3,4-d]thiazole 5,5-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-imino-3-(2-(methylthio)phenyl)hexahydrothieno[3,4-d]thiazole 5,5-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.