![3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one structure](/static/products/4401/440111-63-7.webp)
3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one
TL;DR: 3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one (CAS 440111-63-7) is a chemical compound with molecular formula C8H9N3OS2 and molecular weight 227.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-6-methyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Also Known As: 3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one, 3-ethyl-6-methyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one, 3-Ethyl-6-methyl-2-thioxo-2,3-dihydro-6H-thiazolo[4,5-d]pyrimidin-7-one, Thiazolo[4,5-d]pyrimidin-7 -one,3-ethyl-2,3-dihydro-6-methyl-2-thioxo-, 3-Ethyl-6-methyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
| Molecular Formula | C8H9N3OS2 |
|---|---|
| Molecular Weight | 227.02 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.0187 |
| Heavy Atoms | 14 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 440111-63-7 |
|---|---|
| SMILES | CCN1C2=C(C(=O)N(C=N2)C)SC1=S |
| InChIKey | DXNXBAYYHWPHEJ-UHFFFAOYSA-N |
Product Overview
3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one (CAS 440111-63-7), with molecular formula C8H9N3OS2 and molecular weight 227.02 g/mol. IUPAC: 3-ethyl-6-methyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one
Property Insights of 3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, 3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one has 0 hydrogen bond donor(s) and 4 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 3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one?
The CAS number of 3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one is 440111-63-7.
What is the molecular formula of 3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one?
The molecular formula of 3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one is C8H9N3OS2.
What is the molecular weight of 3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one?
The molecular weight of 3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one is 227.02 g/mol.
Where can I buy 3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one?
You can request a quote for 3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-6-methyl-2-thioxo-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.