![3-Butyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one structure](/static/products/5989/59898-61-2.webp)
3-Butyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
TL;DR: 3-Butyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (CAS 59898-61-2) 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.
3-butyl-5,6-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Also Known As: (Z)-Pterostilbene, 3-Butyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one, 3-butyl-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one, 3-Butyl-2-mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 3-butyl-5,6-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C12H16N2OS2 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 3.53753 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0704 |
| Heavy Atoms | 17 |
| Complexity | 663.4211 |
Chemical Identifiers
| CAS Number | 59898-61-2 |
|---|---|
| SMILES | CCCCN1C(=O)C2=C(NC1=S)SC(=C2C)C |
Product Overview
3-Butyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (CAS 59898-61-2), with molecular formula C12H16N2OS2 and molecular weight 268.07 g/mol. IUPAC: 3-butyl-5,6-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-Butyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
Property Insights of 3-Butyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
The XLogP value of 3.53753 indicates that 3-Butyl-2-mercapto-5,6-dimethyl-3H-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-Butyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-2-mercapto-5,6-dimethyl-3H-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-Butyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The CAS number of 3-Butyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is 59898-61-2.
What is the molecular formula of 3-Butyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 3-Butyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is C12H16N2OS2.
What is the molecular weight of 3-Butyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 3-Butyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is 268.07 g/mol.
Where can I buy 3-Butyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 3-Butyl-2-mercapto-5,6-dimethyl-3H-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-Butyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-2-mercapto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.