![2-(Methylsulfanyl)-4-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidine structure](/static/products/4780/478029-93-5.webp)
2-(Methylsulfanyl)-4-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidine
TL;DR: 2-(Methylsulfanyl)-4-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidine (CAS 478029-93-5) is a chemical compound with molecular formula C17H12N2S3 and molecular weight 340.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-4-phenylsulfanyl-[1]benzothiolo[3,2-d]pyrimidine
Also Known As: 2-(methylsulfanyl)-4-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidine, 2R-1323, 2-methylsulfanyl-4-phenylsulfanyl-[1]benzothiolo[3,2-d]pyrimidine, 4-(methylsulfanyl)-6-(phenylsulfanyl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene
| Molecular Formula | C17H12N2S3 |
|---|---|
| Molecular Weight | 340.02 g/mol |
| LogP | 5.7176 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.01627 |
| Heavy Atoms | 22 |
| Complexity | 948.10913 |
Chemical Identifiers
| CAS Number | 478029-93-5 |
|---|---|
| SMILES | CSC1=NC2=C(C(=N1)SC3=CC=CC=C3)SC4=CC=CC=C42 |
Product Overview
2-(Methylsulfanyl)-4-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidine (CAS 478029-93-5), with molecular formula C17H12N2S3 and molecular weight 340.02 g/mol. IUPAC: 2-methylsulfanyl-4-phenylsulfanyl-[1]benzothiolo[3,2-d]pyrimidine.
Chemical Property Profile of 2-(Methylsulfanyl)-4-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidine
Property Insights of 2-(Methylsulfanyl)-4-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidine
The XLogP value of 5.7176 indicates that 2-(Methylsulfanyl)-4-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 2-(Methylsulfanyl)-4-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylsulfanyl)-4-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidine 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 2-(Methylsulfanyl)-4-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidine?
The CAS number of 2-(Methylsulfanyl)-4-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidine is 478029-93-5.
What is the molecular formula of 2-(Methylsulfanyl)-4-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidine?
The molecular formula of 2-(Methylsulfanyl)-4-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidine is C17H12N2S3.
What is the molecular weight of 2-(Methylsulfanyl)-4-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidine?
The molecular weight of 2-(Methylsulfanyl)-4-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidine is 340.02 g/mol.
Where can I buy 2-(Methylsulfanyl)-4-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidine?
You can request a quote for 2-(Methylsulfanyl)-4-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylsulfanyl)-4-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylsulfanyl)-4-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.