4-Methyl-6-(phenylmethylthio)pyrimidine-2-thiol
TL;DR: 4-Methyl-6-(phenylmethylthio)pyrimidine-2-thiol (CAS 393524-71-5) is a chemical compound with molecular formula C12H12N2S2 and molecular weight 248.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylsulfanyl-6-methyl-1H-pyrimidine-2-thione
Also Known As: 4-benzylsulfanyl-6-methyl-1H-pyrimidine-2-thione, 4-methyl-6-(phenylmethylthio)pyrimidine-2-thiol, 4-Methyl-6-[(phenylmethyl)thio]-2(1H)-pyrimidinethione, 6-(Benzylsulfanyl)-4-methylpyrimidine-2(1H)-thione
| Molecular Formula | C12H12N2S2 |
|---|---|
| Molecular Weight | 248.04 g/mol |
| LogP | 3.73991 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.04419 |
| Heavy Atoms | 16 |
| Complexity | 520.042 |
Chemical Identifiers
| CAS Number | 393524-71-5 |
|---|---|
| SMILES | CC1=CC(=NC(=S)N1)SCC2=CC=CC=C2 |
Product Overview
4-Methyl-6-(phenylmethylthio)pyrimidine-2-thiol (CAS 393524-71-5), with molecular formula C12H12N2S2 and molecular weight 248.04 g/mol. IUPAC: 4-benzylsulfanyl-6-methyl-1H-pyrimidine-2-thione.
Chemical Property Profile of 4-Methyl-6-(phenylmethylthio)pyrimidine-2-thiol
Property Insights of 4-Methyl-6-(phenylmethylthio)pyrimidine-2-thiol
The XLogP value of 3.73991 indicates that 4-Methyl-6-(phenylmethylthio)pyrimidine-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 4-Methyl-6-(phenylmethylthio)pyrimidine-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-6-(phenylmethylthio)pyrimidine-2-thiol has 1 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-(phenylmethylthio)pyrimidine-2-thiol?
The CAS number of 4-Methyl-6-(phenylmethylthio)pyrimidine-2-thiol is 393524-71-5.
What is the molecular formula of 4-Methyl-6-(phenylmethylthio)pyrimidine-2-thiol?
The molecular formula of 4-Methyl-6-(phenylmethylthio)pyrimidine-2-thiol is C12H12N2S2.
What is the molecular weight of 4-Methyl-6-(phenylmethylthio)pyrimidine-2-thiol?
The molecular weight of 4-Methyl-6-(phenylmethylthio)pyrimidine-2-thiol is 248.04 g/mol.
Where can I buy 4-Methyl-6-(phenylmethylthio)pyrimidine-2-thiol?
You can request a quote for 4-Methyl-6-(phenylmethylthio)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-(phenylmethylthio)pyrimidine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-6-(phenylmethylthio)pyrimidine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.