6-(4-Methylanilino)-2-sulfanyl-pyrimidin-4-ol
TL;DR: 6-(4-Methylanilino)-2-sulfanyl-pyrimidin-4-ol (CAS 911002-99-8) is a chemical compound with molecular formula C11H11N3OS and molecular weight 233.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylanilino)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: NCI60_029187, 6-(4-methylanilino)-2-sulfanyl-pyrimidin-4-ol, 2-Thioxo-6-p-tolylamino-2,3-dihydro-1H-pyrimidin-4-one, 2-Mercapto-6-[(4-methylphenyl)amino]pyrimidin-4-ol-, 6-(4-methylanilino)-2-sulfanylidene-1H-pyrimidin-4-one
| Molecular Formula | C11H11N3OS |
|---|---|
| Molecular Weight | 233.06 g/mol |
| LogP | 2.48451 |
| Topological Polar Surface Area | 60.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.06229 |
| Heavy Atoms | 16 |
| Complexity | 569.367 |
Chemical Identifiers
| CAS Number | 911002-99-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=CC(=O)NC(=S)N2 |
Product Overview
6-(4-Methylanilino)-2-sulfanyl-pyrimidin-4-ol (CAS 911002-99-8), with molecular formula C11H11N3OS and molecular weight 233.06 g/mol. IUPAC: 6-(4-methylanilino)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-(4-Methylanilino)-2-sulfanyl-pyrimidin-4-ol
Property Insights of 6-(4-Methylanilino)-2-sulfanyl-pyrimidin-4-ol
The XLogP value of 2.48451 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Methylanilino)-2-sulfanyl-pyrimidin-4-ol. The TPSA of 60.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Methylanilino)-2-sulfanyl-pyrimidin-4-ol. Following Lipinski's Rule of Five, 6-(4-Methylanilino)-2-sulfanyl-pyrimidin-4-ol 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 6-(4-Methylanilino)-2-sulfanyl-pyrimidin-4-ol?
The CAS number of 6-(4-Methylanilino)-2-sulfanyl-pyrimidin-4-ol is 911002-99-8.
What is the molecular formula of 6-(4-Methylanilino)-2-sulfanyl-pyrimidin-4-ol?
The molecular formula of 6-(4-Methylanilino)-2-sulfanyl-pyrimidin-4-ol is C11H11N3OS.
What is the molecular weight of 6-(4-Methylanilino)-2-sulfanyl-pyrimidin-4-ol?
The molecular weight of 6-(4-Methylanilino)-2-sulfanyl-pyrimidin-4-ol is 233.06 g/mol.
Where can I buy 6-(4-Methylanilino)-2-sulfanyl-pyrimidin-4-ol?
You can request a quote for 6-(4-Methylanilino)-2-sulfanyl-pyrimidin-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-Methylanilino)-2-sulfanyl-pyrimidin-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Methylanilino)-2-sulfanyl-pyrimidin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.