![4-((2-methylallyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine structure](/static/products/488/488854-39-3.webp)
4-((2-methylallyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
TL;DR: 4-((2-methylallyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine (CAS 488854-39-3) is a chemical compound with molecular formula C20H20N2S2 and molecular weight 352.10678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-methylprop-2-enylsulfanyl)-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: 4-((2-methylallyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine, 4-(2-methylprop-2-enylsulfanyl)-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine, 4-[(2-methylprop-2-en-1-yl)sulfanyl]-2-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Technical Specifications
| Molecular Formula | C20H20N2S2 |
| Molecular Weight | 352.10678 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 79.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.10678 Da |
| Heavy Atoms | 24 |
| Complexity | 449.0 |
| SMILES | CC(=C)CSC1=NC(=NC2=C1C3=C(S2)CCCC3)C4=CC=CC=C4 |
| InChIKey | INTNWXGQIPZLPT-UHFFFAOYSA-N |
Chemical Property Profile of 4-((2-methylallyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
Property Insights of 4-((2-methylallyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
The XLogP value of 6.6 indicates that 4-((2-methylallyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-methylallyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine. Following Lipinski's Rule of Five, 4-((2-methylallyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-((2-methylallyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine?
The CAS number of 4-((2-methylallyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine is 488854-39-3.
What is the molecular formula of 4-((2-methylallyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine?
The molecular formula of 4-((2-methylallyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine is C20H20N2S2.
What is the molecular weight of 4-((2-methylallyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine?
The molecular weight of 4-((2-methylallyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine is 352.10678 g/mol.
Where can I buy 4-((2-methylallyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine?
You can request a quote for 4-((2-methylallyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((2-methylallyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine?
Yes, CoreyChem provides custom synthesis services for 4-((2-methylallyl)thio)-2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.