5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione
TL;DR: 5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione (CAS 4874-36-6) is a chemical compound with molecular formula C5H6N2O2S and molecular weight 158.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(sulfanylmethyl)-1H-pyrimidine-2,4-dione
Also Known As: 5-Mercaptomethyluracil, 5-(Mercaptomethyl)uracil, 5-mercapto methyluracil, 5-mercaptomethyl-uracil, C(S)c1cnc(O)nc1O
| Molecular Formula | C5H6N2O2S |
|---|---|
| Molecular Weight | 158.01 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.015 |
| Heavy Atoms | 10 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 4874-36-6 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)CS |
| InChIKey | UJHZBYGCKHWQJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione (CAS 4874-36-6), with molecular formula C5H6N2O2S and molecular weight 158.01 g/mol. IUPAC: 5-(sulfanylmethyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione
Property Insights of 5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione
The XLogP value of -1.5 indicates that 5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione 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, 5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione 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 5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione?
The CAS number of 5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione is 4874-36-6.
What is the molecular formula of 5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione is C5H6N2O2S.
What is the molecular weight of 5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione is 158.01 g/mol.
Where can I buy 5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.