![2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid structure](/static/products/6977/69774-56-7.webp)
2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid
TL;DR: 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid (CAS 69774-56-7) 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-6-yl)methylsulfanyl]acetic acid
Also Known As: 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid, {[(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]sulfanyl}acetic acid, 2-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]sulfanyl}acetic acid, ACETIC ACID,2-[[(1,2,3,6-TETRAHYDRO-2,6-DIOXO-4-PYRIMIDINYL)METHYL]THIO]-
| Molecular Formula | C7H8N2O4S |
|---|---|
| Molecular Weight | 216.02 g/mol |
| LogP | -0.9 |
| 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 | 69774-56-7 |
|---|---|
| SMILES | C1=C(NC(=O)NC1=O)CSCC(=O)O |
| InChIKey | JKCNEFWVXRJRBM-UHFFFAOYSA-N |
Product Overview
2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid (CAS 69774-56-7), with molecular formula C7H8N2O4S and molecular weight 216.02 g/mol. IUPAC: 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid.
Chemical Property Profile of 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid
Property Insights of 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid
The XLogP value of -0.9 indicates that 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]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-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]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-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid?
The CAS number of 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid is 69774-56-7.
What is the molecular formula of 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid?
The molecular formula of 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid is C7H8N2O4S.
What is the molecular weight of 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid?
The molecular weight of 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid is 216.02 g/mol.
Where can I buy 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid?
You can request a quote for 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]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-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.