![5,6-dimethyl-3-(2-methylpropyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one structure](/static/products/7318/731827-20-6.webp)
5,6-dimethyl-3-(2-methylpropyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
TL;DR: 5,6-dimethyl-3-(2-methylpropyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 731827-20-6) is a chemical compound with molecular formula C12H16N2OS2 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-3-(2-methylpropyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 5,6-dimethyl-3-(2-methylpropyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one, 3-isobutyl-2-mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 5,6-dimethyl-3-(2-methylpropyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C12H16N2OS2 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 3.39343 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0704 |
| Heavy Atoms | 17 |
| Complexity | 676.09607 |
Chemical Identifiers
| CAS Number | 731827-20-6 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=S)N2)CC(C)C)C |
Product Overview
5,6-dimethyl-3-(2-methylpropyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 731827-20-6), with molecular formula C12H16N2OS2 and molecular weight 268.07 g/mol. IUPAC: 5,6-dimethyl-3-(2-methylpropyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 5,6-dimethyl-3-(2-methylpropyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
Property Insights of 5,6-dimethyl-3-(2-methylpropyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
The XLogP value of 3.39343 indicates that 5,6-dimethyl-3-(2-methylpropyl)-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, 5,6-dimethyl-3-(2-methylpropyl)-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, 5,6-dimethyl-3-(2-methylpropyl)-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 5,6-dimethyl-3-(2-methylpropyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The CAS number of 5,6-dimethyl-3-(2-methylpropyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is 731827-20-6.
What is the molecular formula of 5,6-dimethyl-3-(2-methylpropyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 5,6-dimethyl-3-(2-methylpropyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is C12H16N2OS2.
What is the molecular weight of 5,6-dimethyl-3-(2-methylpropyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 5,6-dimethyl-3-(2-methylpropyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is 268.07 g/mol.
Where can I buy 5,6-dimethyl-3-(2-methylpropyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 5,6-dimethyl-3-(2-methylpropyl)-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 5,6-dimethyl-3-(2-methylpropyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5,6-dimethyl-3-(2-methylpropyl)-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.