![4-Fluorophenyl 2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl sulfide structure](/static/products/4780/478029-97-9.webp)
4-Fluorophenyl 2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl sulfide
TL;DR: 4-Fluorophenyl 2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl sulfide (CAS 478029-97-9) is a chemical compound with molecular formula C17H11FN2S3 and molecular weight 358.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-[1]benzothiolo[3,2-d]pyrimidine
Also Known As: Bionet1_004578, 2R-1327, 4-fluorophenyl 2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl sulfide, 4-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-[1]benzothiolo[3,2-d]pyrimidine, 6-[(4-fluorophenyl)sulfanyl]-4-(methylsulfanyl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene
| Molecular Formula | C17H11FN2S3 |
|---|---|
| Molecular Weight | 358.01 g/mol |
| LogP | 5.8567 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.00684 |
| Heavy Atoms | 23 |
| Complexity | 995.99677 |
Chemical Identifiers
| CAS Number | 478029-97-9 |
|---|---|
| SMILES | CSC1=NC2=C(C(=N1)SC3=CC=C(C=C3)F)SC4=CC=CC=C42 |
Product Overview
4-Fluorophenyl 2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl sulfide (CAS 478029-97-9), with molecular formula C17H11FN2S3 and molecular weight 358.01 g/mol. IUPAC: 4-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-[1]benzothiolo[3,2-d]pyrimidine.
Chemical Property Profile of 4-Fluorophenyl 2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl sulfide
Property Insights of 4-Fluorophenyl 2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl sulfide
The XLogP value of 5.8567 indicates that 4-Fluorophenyl 2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 4-Fluorophenyl 2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorophenyl 2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl sulfide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Fluorophenyl 2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl sulfide?
The CAS number of 4-Fluorophenyl 2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl sulfide is 478029-97-9.
What is the molecular formula of 4-Fluorophenyl 2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl sulfide?
The molecular formula of 4-Fluorophenyl 2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl sulfide is C17H11FN2S3.
What is the molecular weight of 4-Fluorophenyl 2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl sulfide?
The molecular weight of 4-Fluorophenyl 2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl sulfide is 358.01 g/mol.
Where can I buy 4-Fluorophenyl 2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl sulfide?
You can request a quote for 4-Fluorophenyl 2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorophenyl 2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorophenyl 2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.