5-allyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-allyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 74669-25-3) is a chemical compound with molecular formula C7H8N2O2S and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: Allyl-Thiobarbiturat, ChemDiv1_000463, 5-Allyl-2-thiobarbituric acid, 5-allyl-2-thioxo-dihydro-pyrimidine-4,6-dione, 5-allyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C7H8N2O2S |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | -0.2904 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.03065 |
| Heavy Atoms | 12 |
| Complexity | 242.13199 |
Chemical Identifiers
| CAS Number | 74669-25-3 |
|---|---|
| SMILES | C=CCC1C(=O)NC(=S)NC1=O |
Product Overview
5-allyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 74669-25-3), with molecular formula C7H8N2O2S and molecular weight 184.03 g/mol. IUPAC: 5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-allyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-allyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of -0.2904 indicates that 5-allyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.2 Ų, 5-allyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-allyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 2 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 5-allyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-allyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 74669-25-3.
What is the molecular formula of 5-allyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-allyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C7H8N2O2S.
What is the molecular weight of 5-allyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-allyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 184.03 g/mol.
Where can I buy 5-allyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-allyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-allyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-allyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.