![3-allyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one structure](/static/products/120/120079-81-4.png)
3-allyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one
TL;DR: 3-allyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one (CAS 120079-81-4) is a chemical compound with molecular formula C9H8N2OS2 and molecular weight 224.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
Also Known As: 3-allyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one, IGFHWSNDYCOUBD-UHFFFAOYSA-, 3-(prop-2-en-1-yl)-2-sulfanyl-3H,4H-thieno[3,2-d]pyrimidin-4-one, 3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one, 3-allyl-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C9H8N2OS2 |
|---|---|
| Molecular Weight | 224.01 g/mol |
| LogP | 2.30659 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.00781 |
| Heavy Atoms | 14 |
| Complexity | 590.61316 |
Chemical Identifiers
| CAS Number | 120079-81-4 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C=CS2)NC1=S |
Product Overview
3-allyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one (CAS 120079-81-4), with molecular formula C9H8N2OS2 and molecular weight 224.01 g/mol. IUPAC: 3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 3-allyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one
Property Insights of 3-allyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one
The XLogP value of 2.30659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-allyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one. With a topological polar surface area (TPSA) of 37.79 Ų, 3-allyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-allyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one has 1 hydrogen bond donor(s) and 3 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-allyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one?
The CAS number of 3-allyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one is 120079-81-4.
What is the molecular formula of 3-allyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one?
The molecular formula of 3-allyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one is C9H8N2OS2.
What is the molecular weight of 3-allyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one?
The molecular weight of 3-allyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one is 224.01 g/mol.
Where can I buy 3-allyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one?
You can request a quote for 3-allyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-allyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.