5-Benzyl-6-methylthiouracil
TL;DR: 5-Benzyl-6-methylthiouracil (CAS 946724-90-9) is a chemical compound with molecular formula C12H12N2OS and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-Benzyl-6-methylthiouracil, 5-benzyl-2-mercapto-6-methylpyrimidin-4-ol, Maybridge4_003163, ChemDiv3_002497, 5-benzyl-6-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C12H12N2OS |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.06703 |
| Heavy Atoms | 16 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 946724-90-9 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=S)N1)CC2=CC=CC=C2 |
| InChIKey | DNEXCHUDIUXJAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Benzyl-6-methylthiouracil (CAS 946724-90-9), with molecular formula C12H12N2OS and molecular weight 232.07 g/mol. IUPAC: 5-benzyl-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-Benzyl-6-methylthiouracil
Property Insights of 5-Benzyl-6-methylthiouracil
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzyl-6-methylthiouracil. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzyl-6-methylthiouracil. Following Lipinski's Rule of Five, 5-Benzyl-6-methylthiouracil 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 5-Benzyl-6-methylthiouracil?
The CAS number of 5-Benzyl-6-methylthiouracil is 946724-90-9.
What is the molecular formula of 5-Benzyl-6-methylthiouracil?
The molecular formula of 5-Benzyl-6-methylthiouracil is C12H12N2OS.
What is the molecular weight of 5-Benzyl-6-methylthiouracil?
The molecular weight of 5-Benzyl-6-methylthiouracil is 232.07 g/mol.
Where can I buy 5-Benzyl-6-methylthiouracil?
You can request a quote for 5-Benzyl-6-methylthiouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzyl-6-methylthiouracil?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-6-methylthiouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.