5-Methyl-4-phenyl-2-pyrimidinethiol
TL;DR: 5-Methyl-4-phenyl-2-pyrimidinethiol (CAS 857412-75-0) is a chemical compound with molecular formula C11H10N2S and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-6-phenyl-1H-pyrimidine-2-thione
Also Known As: 5-methyl-4-phenyl-2-pyrimidinethiol, NIOSH/UW0519500, 5-METHYL-4-PHENYLPYRIMIDINE-2-THIOL, 5-methyl-6-phenyl-1H-pyrimidine-2-thione, 5-Methyl-6-phenyl-2-pyrimidinethiol
| Molecular Formula | C11H10N2S |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 3.11461 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.05647 |
| Heavy Atoms | 14 |
| Complexity | 488.14075 |
Chemical Identifiers
| CAS Number | 857412-75-0 |
|---|---|
| SMILES | CC1=C(NC(=S)N=C1)C2=CC=CC=C2 |
Product Overview
5-Methyl-4-phenyl-2-pyrimidinethiol (CAS 857412-75-0), with molecular formula C11H10N2S and molecular weight 202.06 g/mol. IUPAC: 5-methyl-6-phenyl-1H-pyrimidine-2-thione.
Chemical Property Profile of 5-Methyl-4-phenyl-2-pyrimidinethiol
Property Insights of 5-Methyl-4-phenyl-2-pyrimidinethiol
The XLogP value of 3.11461 indicates that 5-Methyl-4-phenyl-2-pyrimidinethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 5-Methyl-4-phenyl-2-pyrimidinethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-4-phenyl-2-pyrimidinethiol has 1 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-Methyl-4-phenyl-2-pyrimidinethiol?
The CAS number of 5-Methyl-4-phenyl-2-pyrimidinethiol is 857412-75-0.
What is the molecular formula of 5-Methyl-4-phenyl-2-pyrimidinethiol?
The molecular formula of 5-Methyl-4-phenyl-2-pyrimidinethiol is C11H10N2S.
What is the molecular weight of 5-Methyl-4-phenyl-2-pyrimidinethiol?
The molecular weight of 5-Methyl-4-phenyl-2-pyrimidinethiol is 202.06 g/mol.
Where can I buy 5-Methyl-4-phenyl-2-pyrimidinethiol?
You can request a quote for 5-Methyl-4-phenyl-2-pyrimidinethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-4-phenyl-2-pyrimidinethiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-4-phenyl-2-pyrimidinethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.