![1-[3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-3(2H)-yl)phenyl]ethanone structure](/static/products/899/899388-90-0.png)
1-[3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-3(2H)-yl)phenyl]ethanone
TL;DR: 1-[3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-3(2H)-yl)phenyl]ethanone (CAS 899388-90-0) is a chemical compound with molecular formula C13H14N2O3S2 and molecular weight 310.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2-imino-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-3-yl)phenyl]ethanone
Also Known As: 1-[3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-3(2H)-yl)phenyl]ethanone, 1-(3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-3(2H)-yl)phenyl)ethanone, 1-[3-(2-imino-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-3-yl)phenyl]ethanone
| Molecular Formula | C13H14N2O3S2 |
|---|---|
| Molecular Weight | 310.04 g/mol |
| LogP | 1.54277 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.0446 |
| Heavy Atoms | 20 |
| Complexity | 699.32275 |
Chemical Identifiers
| CAS Number | 899388-90-0 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)N2C3CS(=O)(=O)CC3SC2=N |
Product Overview
1-[3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-3(2H)-yl)phenyl]ethanone (CAS 899388-90-0), with molecular formula C13H14N2O3S2 and molecular weight 310.04 g/mol. IUPAC: 1-[3-(2-imino-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-3-yl)phenyl]ethanone.
Chemical Property Profile of 1-[3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-3(2H)-yl)phenyl]ethanone
Property Insights of 1-[3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-3(2H)-yl)phenyl]ethanone
The XLogP value of 1.54277 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-3(2H)-yl)phenyl]ethanone. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-3(2H)-yl)phenyl]ethanone. Following Lipinski's Rule of Five, 1-[3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-3(2H)-yl)phenyl]ethanone 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 1-[3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-3(2H)-yl)phenyl]ethanone?
The CAS number of 1-[3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-3(2H)-yl)phenyl]ethanone is 899388-90-0.
What is the molecular formula of 1-[3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-3(2H)-yl)phenyl]ethanone?
The molecular formula of 1-[3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-3(2H)-yl)phenyl]ethanone is C13H14N2O3S2.
What is the molecular weight of 1-[3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-3(2H)-yl)phenyl]ethanone?
The molecular weight of 1-[3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-3(2H)-yl)phenyl]ethanone is 310.04 g/mol.
Where can I buy 1-[3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-3(2H)-yl)phenyl]ethanone?
You can request a quote for 1-[3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-3(2H)-yl)phenyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-3(2H)-yl)phenyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(2-imino-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-3(2H)-yl)phenyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.