![3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one structure](/static/products/7318/731827-11-5.webp)
3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
TL;DR: 3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 731827-11-5) is a chemical compound with molecular formula C16H16N2OS2 and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one, 3-(2,5-dimethylphenyl)-2-mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C16H16N2OS2 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 4.34347 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.0704 |
| Heavy Atoms | 21 |
| Complexity | 976.33124 |
Chemical Identifiers
| CAS Number | 731827-11-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=O)C3=C(NC2=S)SC(=C3C)C |
Product Overview
3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 731827-11-5), with molecular formula C16H16N2OS2 and molecular weight 316.07 g/mol. IUPAC: 3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
Property Insights of 3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
The XLogP value of 4.34347 indicates that 3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one has 1 hydrogen bond donor(s) and 3 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-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The CAS number of 3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is 731827-11-5.
What is the molecular formula of 3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is C16H16N2OS2.
What is the molecular weight of 3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is 316.07 g/mol.
Where can I buy 3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-dimethylphenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.