5-Phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
TL;DR: 5-Phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione (CAS 42459-12-1) is a chemical compound with molecular formula C10H8N2O2S and molecular weight 220.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: ChemDiv3_001948, IDI1_020914, 5-phenyl-2-sulfanyl-4,6-pyrimidinediol, 5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione, J1.837.306H
| Molecular Formula | C10H8N2O2S |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 0.3011 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.03065 |
| Heavy Atoms | 15 |
| Complexity | 410.30835 |
Chemical Identifiers
| CAS Number | 42459-12-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(=O)NC(=S)NC2=O |
Product Overview
5-Phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione (CAS 42459-12-1), with molecular formula C10H8N2O2S and molecular weight 220.03 g/mol. IUPAC: 5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-Phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Property Insights of 5-Phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
The XLogP value of 0.3011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione. With a topological polar surface area (TPSA) of 58.2 Ų, 5-Phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione 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-Phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The CAS number of 5-Phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is 42459-12-1.
What is the molecular formula of 5-Phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The molecular formula of 5-Phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is C10H8N2O2S.
What is the molecular weight of 5-Phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The molecular weight of 5-Phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is 220.03 g/mol.
Where can I buy 5-Phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
You can request a quote for 5-Phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.