6-sulfanyl-1H-pyrimidine-2,4-dione
TL;DR: 6-sulfanyl-1H-pyrimidine-2,4-dione (CAS 902259-13-6) is a chemical compound with molecular formula C4H4N2O2S and molecular weight 144.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-sulfanyl-1H-pyrimidine-2,4-dione
Also Known As: 6-Thiouracil, 6-Mercapto-pyrimidine-2,4-diol, 6-sulfanyl-1H-pyrimidine-2,4-dione, 6-mercaptopyrimidine-2,4(1H,3H)-dione, 6-sulfanylpyrimidine-2,4(1h,3h)-dione
| Molecular Formula | C4H4N2O2S |
|---|---|
| Molecular Weight | 144.00 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.99934 |
| Heavy Atoms | 9 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 902259-13-6 |
|---|---|
| SMILES | C1=C(NC(=O)NC1=O)S |
| InChIKey | HCFLFBOWTIRGOA-UHFFFAOYSA-N |
Product Overview
6-sulfanyl-1H-pyrimidine-2,4-dione (CAS 902259-13-6), with molecular formula C4H4N2O2S and molecular weight 144.00 g/mol. IUPAC: 6-sulfanyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-sulfanyl-1H-pyrimidine-2,4-dione
Property Insights of 6-sulfanyl-1H-pyrimidine-2,4-dione
The XLogP value of -0.8 indicates that 6-sulfanyl-1H-pyrimidine-2,4-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.2 Ų, 6-sulfanyl-1H-pyrimidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-sulfanyl-1H-pyrimidine-2,4-dione has 3 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 6-sulfanyl-1H-pyrimidine-2,4-dione?
The CAS number of 6-sulfanyl-1H-pyrimidine-2,4-dione is 902259-13-6.
What is the molecular formula of 6-sulfanyl-1H-pyrimidine-2,4-dione?
The molecular formula of 6-sulfanyl-1H-pyrimidine-2,4-dione is C4H4N2O2S.
What is the molecular weight of 6-sulfanyl-1H-pyrimidine-2,4-dione?
The molecular weight of 6-sulfanyl-1H-pyrimidine-2,4-dione is 144.00 g/mol.
Where can I buy 6-sulfanyl-1H-pyrimidine-2,4-dione?
You can request a quote for 6-sulfanyl-1H-pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-sulfanyl-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-sulfanyl-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.