![{[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]sulfanyl}acetic acid structure](/static/products/4874/4874-01-5.webp)
{[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]sulfanyl}acetic acid
TL;DR: {[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]sulfanyl}acetic acid (CAS 4874-01-5) is a chemical compound with molecular formula C7H8N2O4S and molecular weight 216.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanyl]acetic acid
Also Known As: 5-(carboxymethylthiomethyl)uracil, 2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanyl]acetic acid, {[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]sulfanyl}acetic acid, Acetic acid,2-[[(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)methyl]thio]-
| Molecular Formula | C7H8N2O4S |
|---|---|
| Molecular Weight | 216.02 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.02048 |
| Heavy Atoms | 14 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 4874-01-5 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)CSCC(=O)O |
| InChIKey | AEBNQWOZLINIOW-UHFFFAOYSA-N |
Product Overview
{[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]sulfanyl}acetic acid (CAS 4874-01-5), with molecular formula C7H8N2O4S and molecular weight 216.02 g/mol. IUPAC: 2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanyl]acetic acid.
Chemical Property Profile of {[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]sulfanyl}acetic acid
Property Insights of {[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]sulfanyl}acetic acid
The XLogP value of -1.6 indicates that {[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]sulfanyl}acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for {[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, {[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]sulfanyl}acetic acid has 3 hydrogen bond donor(s) and 5 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 {[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]sulfanyl}acetic acid?
The CAS number of {[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]sulfanyl}acetic acid is 4874-01-5.
What is the molecular formula of {[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]sulfanyl}acetic acid?
The molecular formula of {[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]sulfanyl}acetic acid is C7H8N2O4S.
What is the molecular weight of {[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]sulfanyl}acetic acid?
The molecular weight of {[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]sulfanyl}acetic acid is 216.02 g/mol.
Where can I buy {[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]sulfanyl}acetic acid?
You can request a quote for {[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]sulfanyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.