2-硫脲嘧啶
TL;DR: 2-硫脲嘧啶 (CAS 501355-75-5) is a chemical compound with molecular formula C4H4N2OS and molecular weight 128.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-硫脲嘧啶
2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 2-thiouracil, Thiouracil, Deracil, Antagothyroid, Antagothyroil
| Molecular Formula | C4H4N2OS |
|---|---|
| Molecular Weight | 128.00 g/mol |
| LogP | 0.43249 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.00444 |
| Heavy Atoms | 8 |
| Complexity | 248.36195 |
Chemical Identifiers
| CAS Number | 501355-75-5 |
|---|---|
| SMILES | C1=CNC(=S)NC1=O |
Product Overview
2-硫脲嘧啶 (CAS 501355-75-5), with molecular formula C4H4N2OS and molecular weight 128.00 g/mol. IUPAC: 2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 2-硫脲嘧啶
Property Insights of 2-硫脲嘧啶
The XLogP value of 0.43249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-硫脲嘧啶. With a topological polar surface area (TPSA) of 48.65 Ų, 2-硫脲嘧啶 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-硫脲嘧啶 has 2 hydrogen bond donor(s) and 2 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-硫脲嘧啶?
The CAS number of 2-硫脲嘧啶 is 501355-75-5.
What is the molecular formula of 2-硫脲嘧啶?
The molecular formula of 2-硫脲嘧啶 is C4H4N2OS.
What is the molecular weight of 2-硫脲嘧啶?
The molecular weight of 2-硫脲嘧啶 is 128.00 g/mol.
Where can I buy 2-硫脲嘧啶?
You can request a quote for 2-硫脲嘧啶 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-硫脲嘧啶?
Yes, KEHONG BIO provides custom synthesis services for 2-硫脲嘧啶 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.