4-硫脲嘧啶
TL;DR: 4-硫脲嘧啶 (CAS 591-28-6) is a chemical compound with molecular formula C4H6N2OS and molecular weight 130.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硫脲嘧啶
4-sulfanylidene-1,3-diazinan-2-one
Also Known As: 4-Thiouracil, EINECS 225-481-6, thioxotetrahydropyrimidinone, 2(1H)-Pyrimidinone, tetrahydro-4-thioxo-, 4-sulfanylidene-1,3-diazinan-2-one
| Molecular Formula | C4H6N2OS |
|---|---|
| Molecular Weight | 130.02 g/mol |
| LogP | 0.0167 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.02008 |
| Heavy Atoms | 8 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 591-28-6 |
|---|---|
| SMILES | C1CNC(=O)NC1=S |
Product Overview
4-硫脲嘧啶 (CAS 591-28-6), with molecular formula C4H6N2OS and molecular weight 130.02 g/mol. IUPAC: 4-sulfanylidene-1,3-diazinan-2-one.
Chemical Property Profile of 4-硫脲嘧啶
Property Insights of 4-硫脲嘧啶
The XLogP value of 0.0167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硫脲嘧啶. With a topological polar surface area (TPSA) of 41.13 Ų, 4-硫脲嘧啶 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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 4-硫脲嘧啶?
The CAS number of 4-硫脲嘧啶 is 591-28-6.
What is the molecular formula of 4-硫脲嘧啶?
The molecular formula of 4-硫脲嘧啶 is C4H6N2OS.
What is the molecular weight of 4-硫脲嘧啶?
The molecular weight of 4-硫脲嘧啶 is 130.02 g/mol.
Where can I buy 4-硫脲嘧啶?
You can request a quote for 4-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 4-硫脲嘧啶?
Yes, KEHONG BIO provides custom synthesis services for 4-硫脲嘧啶 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.