4-Methyl-6-(phenylamino)pyrimidine-2-thiol
TL;DR: 4-Methyl-6-(phenylamino)pyrimidine-2-thiol (CAS 321975-16-0) is a chemical compound with molecular formula C11H11N3S and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-6-methyl-1H-pyrimidine-2-thione
Also Known As: 4-methyl-6-(phenylamino)pyrimidine-2-thiol, 4-anilino-6-methylpyrimidine-2-thiol, 4-anilino-6-methyl-1H-pyrimidine-2-thione
| Molecular Formula | C11H11N3S |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 3.19121 |
| Topological Polar Surface Area | 40.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.06737 |
| Heavy Atoms | 15 |
| Complexity | 504.74152 |
Chemical Identifiers
| CAS Number | 321975-16-0 |
|---|---|
| SMILES | CC1=CC(=NC(=S)N1)NC2=CC=CC=C2 |
Product Overview
4-Methyl-6-(phenylamino)pyrimidine-2-thiol (CAS 321975-16-0), with molecular formula C11H11N3S and molecular weight 217.07 g/mol. IUPAC: 4-anilino-6-methyl-1H-pyrimidine-2-thione.
Chemical Property Profile of 4-Methyl-6-(phenylamino)pyrimidine-2-thiol
Property Insights of 4-Methyl-6-(phenylamino)pyrimidine-2-thiol
The XLogP value of 3.19121 indicates that 4-Methyl-6-(phenylamino)pyrimidine-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.71 Ų, 4-Methyl-6-(phenylamino)pyrimidine-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-6-(phenylamino)pyrimidine-2-thiol 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 4-Methyl-6-(phenylamino)pyrimidine-2-thiol?
The CAS number of 4-Methyl-6-(phenylamino)pyrimidine-2-thiol is 321975-16-0.
What is the molecular formula of 4-Methyl-6-(phenylamino)pyrimidine-2-thiol?
The molecular formula of 4-Methyl-6-(phenylamino)pyrimidine-2-thiol is C11H11N3S.
What is the molecular weight of 4-Methyl-6-(phenylamino)pyrimidine-2-thiol?
The molecular weight of 4-Methyl-6-(phenylamino)pyrimidine-2-thiol is 217.07 g/mol.
Where can I buy 4-Methyl-6-(phenylamino)pyrimidine-2-thiol?
You can request a quote for 4-Methyl-6-(phenylamino)pyrimidine-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-6-(phenylamino)pyrimidine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-6-(phenylamino)pyrimidine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.