![3-(2-methylallyl)-5-(thiophen-2-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one structure](/static/products/3301/330182-27-9.webp)
3-(2-methylallyl)-5-(thiophen-2-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
TL;DR: 3-(2-methylallyl)-5-(thiophen-2-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one (CAS 330182-27-9) is a chemical compound with molecular formula C14H12N2OS3 and molecular weight 320.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylprop-2-enyl)-2-sulfanylidene-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 3-(2-methylallyl)-5-(thiophen-2-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one, 3-(2-methylprop-2-enyl)-2-sulfanylidene-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidin-4-one, 3-(2-methylprop-2-en-1-yl)-2-sulfanyl-5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(3H)-one, 3-(2-methylprop-2-enyl)-5-(2-thienyl)-2-thioxo-1,3-dihydrothiopheno[2,3-d]pyri midin-4-one
| Molecular Formula | C14H12N2OS3 |
|---|---|
| Molecular Weight | 320.01 g/mol |
| LogP | 4.42519 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.01117 |
| Heavy Atoms | 20 |
| Complexity | 896.78204 |
Chemical Identifiers
| CAS Number | 330182-27-9 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(NC1=S)SC=C2C3=CC=CS3 |
Product Overview
3-(2-methylallyl)-5-(thiophen-2-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one (CAS 330182-27-9), with molecular formula C14H12N2OS3 and molecular weight 320.01 g/mol. IUPAC: 3-(2-methylprop-2-enyl)-2-sulfanylidene-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-(2-methylallyl)-5-(thiophen-2-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
Property Insights of 3-(2-methylallyl)-5-(thiophen-2-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
The XLogP value of 4.42519 indicates that 3-(2-methylallyl)-5-(thiophen-2-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 3-(2-methylallyl)-5-(thiophen-2-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-methylallyl)-5-(thiophen-2-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one has 1 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 3-(2-methylallyl)-5-(thiophen-2-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
The CAS number of 3-(2-methylallyl)-5-(thiophen-2-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is 330182-27-9.
What is the molecular formula of 3-(2-methylallyl)-5-(thiophen-2-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
The molecular formula of 3-(2-methylallyl)-5-(thiophen-2-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is C14H12N2OS3.
What is the molecular weight of 3-(2-methylallyl)-5-(thiophen-2-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
The molecular weight of 3-(2-methylallyl)-5-(thiophen-2-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is 320.01 g/mol.
Where can I buy 3-(2-methylallyl)-5-(thiophen-2-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
You can request a quote for 3-(2-methylallyl)-5-(thiophen-2-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-methylallyl)-5-(thiophen-2-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methylallyl)-5-(thiophen-2-yl)-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.