![2-((2-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol structure](/static/products/904/904500-64-7.png)
2-((2-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol
TL;DR: 2-((2-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol (CAS 904500-64-7) is a chemical compound with molecular formula C13H16N2OS3 and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methylsulfanyl-6,7,8,9-tetrahydro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)sulfanyl]ethanol
Also Known As: 2-((2-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol, 2-[(2-methylsulfanyl-6,7,8,9-tetrahydro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)sulfanyl]ethanol, 2-{[2-(methylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-d]pyrimidin-4-yl]sulfanyl}ethanol
| Molecular Formula | C13H16N2OS3 |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | 3.3764 |
| Topological Polar Surface Area | 46.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.04248 |
| Heavy Atoms | 19 |
| Complexity | 597.0761 |
Chemical Identifiers
| CAS Number | 904500-64-7 |
|---|---|
| SMILES | CSC1=NC2=C(C(=N1)SCCO)SC3=C2CCCC3 |
Product Overview
2-((2-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol (CAS 904500-64-7), with molecular formula C13H16N2OS3 and molecular weight 312.04 g/mol. IUPAC: 2-[(2-methylsulfanyl-6,7,8,9-tetrahydro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)sulfanyl]ethanol.
Chemical Property Profile of 2-((2-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol
Property Insights of 2-((2-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol
The XLogP value of 3.3764 indicates that 2-((2-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.01 Ų, 2-((2-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol has 1 hydrogen bond donor(s) and 6 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 2-((2-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol?
The CAS number of 2-((2-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol is 904500-64-7.
What is the molecular formula of 2-((2-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol?
The molecular formula of 2-((2-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol is C13H16N2OS3.
What is the molecular weight of 2-((2-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol?
The molecular weight of 2-((2-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol is 312.04 g/mol.
Where can I buy 2-((2-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol?
You can request a quote for 2-((2-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(methylthio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-d]pyrimidin-4-yl)thio)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.