5-Phenyl-2-pyrimidinethiol
TL;DR: 5-Phenyl-2-pyrimidinethiol (CAS 31408-19-2) is a chemical compound with molecular formula C10H8N2S and molecular weight 188.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-1H-pyrimidine-2-thione
Also Known As: 5-phenyl-2-pyrimidinethiol, 5-phenylpyrimidine-2-thiol, 5-phenyl-1H-pyrimidine-2-thione, 2(1H)-Pyrimidinethione, 5-phenyl-, 5-phenyl-1,2-dihydropyrimidine-2-thione
| Molecular Formula | C10H8N2S |
|---|---|
| Molecular Weight | 188.04 g/mol |
| LogP | 2.80619 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.04082 |
| Heavy Atoms | 13 |
| Complexity | 427.48685 |
Chemical Identifiers
| CAS Number | 31408-19-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CNC(=S)N=C2 |
Product Overview
5-Phenyl-2-pyrimidinethiol (CAS 31408-19-2), with molecular formula C10H8N2S and molecular weight 188.04 g/mol. IUPAC: 5-phenyl-1H-pyrimidine-2-thione.
Chemical Property Profile of 5-Phenyl-2-pyrimidinethiol
Property Insights of 5-Phenyl-2-pyrimidinethiol
The XLogP value of 2.80619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-2-pyrimidinethiol. With a topological polar surface area (TPSA) of 28.68 Ų, 5-Phenyl-2-pyrimidinethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-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-Phenyl-2-pyrimidinethiol?
The CAS number of 5-Phenyl-2-pyrimidinethiol is 31408-19-2.
What is the molecular formula of 5-Phenyl-2-pyrimidinethiol?
The molecular formula of 5-Phenyl-2-pyrimidinethiol is C10H8N2S.
What is the molecular weight of 5-Phenyl-2-pyrimidinethiol?
The molecular weight of 5-Phenyl-2-pyrimidinethiol is 188.04 g/mol.
Where can I buy 5-Phenyl-2-pyrimidinethiol?
You can request a quote for 5-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-Phenyl-2-pyrimidinethiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-2-pyrimidinethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.