![methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide structure](/static/products/4782/478246-76-3.webp)
methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide
TL;DR: methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide (CAS 478246-76-3) is a chemical compound with molecular formula C13H12N2S2 and molecular weight 260.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-2-methylsulfanyl-5H-thiochromeno[4,3-d]pyrimidine
Also Known As: methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide, 9-methyl-2-methylsulfanyl-5H-thiochromeno[4,3-d]pyrimidine, 9-methyl-2-(methylsulfanyl)-5H-thiochromeno[4,3-d]pyrimidine, 9-methyl-2-(methylthio)-5H-thiochromeno[4,3-d]pyrimidine, 5H-[1]Benzothiopyrano[4,3-d]pyrimidine, 9-methyl-2-(methylthio)-
| Molecular Formula | C13H12N2S2 |
|---|---|
| Molecular Weight | 260.04 g/mol |
| LogP | 3.77962 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.0442 |
| Heavy Atoms | 17 |
| Complexity | 581.6273 |
Chemical Identifiers
| CAS Number | 478246-76-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SCC3=CN=C(N=C32)SC |
Product Overview
methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide (CAS 478246-76-3), with molecular formula C13H12N2S2 and molecular weight 260.04 g/mol. IUPAC: 9-methyl-2-methylsulfanyl-5H-thiochromeno[4,3-d]pyrimidine.
Chemical Property Profile of methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide
Property Insights of methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide
The XLogP value of 3.77962 indicates that methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-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, methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide has 0 hydrogen bond donor(s) and 4 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 methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide?
The CAS number of methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide is 478246-76-3.
What is the molecular formula of methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide?
The molecular formula of methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide is C13H12N2S2.
What is the molecular weight of methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide?
The molecular weight of methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide is 260.04 g/mol.
Where can I buy methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide?
You can request a quote for methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.