4-(2-Pyridinyl)pyrimidine-2-thiol
TL;DR: 4-(2-Pyridinyl)pyrimidine-2-thiol (CAS 454699-37-7) is a chemical compound with molecular formula C9H7N3S and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-pyridin-2-yl-1H-pyrimidine-2-thione
Also Known As: 4-(2-PYRIDINYL)PYRIMIDINE-2-THIOL, 4-(pyridin-2-yl)pyrimidine-2-thiol, pyridinyl-pyrimidine-2-thiol, 6-pyridin-2-yl-1H-pyrimidine-2-thione, 4-(2-Pyridyl)pyrimidine-2-thiol
| Molecular Formula | C9H7N3S |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 2.20119 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.03607 |
| Heavy Atoms | 13 |
| Complexity | 449.67194 |
Chemical Identifiers
| CAS Number | 454699-37-7 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=CC=NC(=S)N2 |
Product Overview
4-(2-Pyridinyl)pyrimidine-2-thiol (CAS 454699-37-7), with molecular formula C9H7N3S and molecular weight 189.04 g/mol. IUPAC: 6-pyridin-2-yl-1H-pyrimidine-2-thione.
Chemical Property Profile of 4-(2-Pyridinyl)pyrimidine-2-thiol
Property Insights of 4-(2-Pyridinyl)pyrimidine-2-thiol
The XLogP value of 2.20119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Pyridinyl)pyrimidine-2-thiol. With a topological polar surface area (TPSA) of 41.57 Ų, 4-(2-Pyridinyl)pyrimidine-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Pyridinyl)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-(2-Pyridinyl)pyrimidine-2-thiol?
The CAS number of 4-(2-Pyridinyl)pyrimidine-2-thiol is 454699-37-7.
What is the molecular formula of 4-(2-Pyridinyl)pyrimidine-2-thiol?
The molecular formula of 4-(2-Pyridinyl)pyrimidine-2-thiol is C9H7N3S.
What is the molecular weight of 4-(2-Pyridinyl)pyrimidine-2-thiol?
The molecular weight of 4-(2-Pyridinyl)pyrimidine-2-thiol is 189.04 g/mol.
Where can I buy 4-(2-Pyridinyl)pyrimidine-2-thiol?
You can request a quote for 4-(2-Pyridinyl)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-(2-Pyridinyl)pyrimidine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Pyridinyl)pyrimidine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.