![5-(4-Methylphenyl)-4-[(4-nitrobenzyl)sulfanyl]thieno[2,3-d]pyrimidine structure](/static/products/457/457643-20-8.png)
5-(4-Methylphenyl)-4-[(4-nitrobenzyl)sulfanyl]thieno[2,3-d]pyrimidine
TL;DR: 5-(4-Methylphenyl)-4-[(4-nitrobenzyl)sulfanyl]thieno[2,3-d]pyrimidine (CAS 457643-20-8) is a chemical compound with molecular formula C20H15N3O2S2 and molecular weight 393.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)-4-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidine
Also Known As: 4-((4-nitrobenzyl)thio)-5-(p-tolyl)thieno[2,3-d]pyrimidine, 5-(4-methylphenyl)-4-[(4-nitrobenzyl)sulfanyl]thieno[2,3-d]pyrimidine, 5-(4-methylphenyl)-4-[(4-nitrophenyl)methylthio]thiopheno[2,3-d]pyrimidine, 5-(4-methylphenyl)-4-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidine, 5-(4-methylphenyl)-4-{[(4-nitrophenyl)methyl]sulfanyl}thieno[2,3-d]pyrimidine
| Molecular Formula | C20H15N3O2S2 |
|---|---|
| Molecular Weight | 393.06 g/mol |
| LogP | 5.86722 |
| Topological Polar Surface Area | 68.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.06058 |
| Heavy Atoms | 27 |
| Complexity | 1106.4971 |
Chemical Identifiers
| CAS Number | 457643-20-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
5-(4-Methylphenyl)-4-[(4-nitrobenzyl)sulfanyl]thieno[2,3-d]pyrimidine (CAS 457643-20-8), with molecular formula C20H15N3O2S2 and molecular weight 393.06 g/mol. IUPAC: 5-(4-methylphenyl)-4-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidine.
Chemical Property Profile of 5-(4-Methylphenyl)-4-[(4-nitrobenzyl)sulfanyl]thieno[2,3-d]pyrimidine
Property Insights of 5-(4-Methylphenyl)-4-[(4-nitrobenzyl)sulfanyl]thieno[2,3-d]pyrimidine
The XLogP value of 5.86722 indicates that 5-(4-Methylphenyl)-4-[(4-nitrobenzyl)sulfanyl]thieno[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Methylphenyl)-4-[(4-nitrobenzyl)sulfanyl]thieno[2,3-d]pyrimidine. Following Lipinski's Rule of Five, 5-(4-Methylphenyl)-4-[(4-nitrobenzyl)sulfanyl]thieno[2,3-d]pyrimidine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-Methylphenyl)-4-[(4-nitrobenzyl)sulfanyl]thieno[2,3-d]pyrimidine?
The CAS number of 5-(4-Methylphenyl)-4-[(4-nitrobenzyl)sulfanyl]thieno[2,3-d]pyrimidine is 457643-20-8.
What is the molecular formula of 5-(4-Methylphenyl)-4-[(4-nitrobenzyl)sulfanyl]thieno[2,3-d]pyrimidine?
The molecular formula of 5-(4-Methylphenyl)-4-[(4-nitrobenzyl)sulfanyl]thieno[2,3-d]pyrimidine is C20H15N3O2S2.
What is the molecular weight of 5-(4-Methylphenyl)-4-[(4-nitrobenzyl)sulfanyl]thieno[2,3-d]pyrimidine?
The molecular weight of 5-(4-Methylphenyl)-4-[(4-nitrobenzyl)sulfanyl]thieno[2,3-d]pyrimidine is 393.06 g/mol.
Where can I buy 5-(4-Methylphenyl)-4-[(4-nitrobenzyl)sulfanyl]thieno[2,3-d]pyrimidine?
You can request a quote for 5-(4-Methylphenyl)-4-[(4-nitrobenzyl)sulfanyl]thieno[2,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Methylphenyl)-4-[(4-nitrobenzyl)sulfanyl]thieno[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methylphenyl)-4-[(4-nitrobenzyl)sulfanyl]thieno[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.