4-Propoxypyrimidine-2-thiol
TL;DR: 4-Propoxypyrimidine-2-thiol (CAS 438220-52-1) is a chemical compound with molecular formula C7H10N2OS and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-propoxy-1H-pyrimidine-2-thione
Also Known As: 4-propoxypyrimidine-2-thiol, 6-propoxy-1H-pyrimidine-2-thione, 4-Propoxy-pyrimidine-2-thiol, 2-pyrimidinethiol, 4-propoxy-, 2(1H)-Pyrimidinethione, 4-propoxy-
| Molecular Formula | C7H10N2OS |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 1.92799 |
| Topological Polar Surface Area | 37.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.05139 |
| Heavy Atoms | 11 |
| Complexity | 271.14313 |
Chemical Identifiers
| CAS Number | 438220-52-1 |
|---|---|
| SMILES | CCCOC1=CC=NC(=S)N1 |
Product Overview
4-Propoxypyrimidine-2-thiol (CAS 438220-52-1), with molecular formula C7H10N2OS and molecular weight 170.05 g/mol. IUPAC: 6-propoxy-1H-pyrimidine-2-thione.
Chemical Property Profile of 4-Propoxypyrimidine-2-thiol
Property Insights of 4-Propoxypyrimidine-2-thiol
The XLogP value of 1.92799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Propoxypyrimidine-2-thiol. With a topological polar surface area (TPSA) of 37.91 Ų, 4-Propoxypyrimidine-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Propoxypyrimidine-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-Propoxypyrimidine-2-thiol?
The CAS number of 4-Propoxypyrimidine-2-thiol is 438220-52-1.
What is the molecular formula of 4-Propoxypyrimidine-2-thiol?
The molecular formula of 4-Propoxypyrimidine-2-thiol is C7H10N2OS.
What is the molecular weight of 4-Propoxypyrimidine-2-thiol?
The molecular weight of 4-Propoxypyrimidine-2-thiol is 170.05 g/mol.
Where can I buy 4-Propoxypyrimidine-2-thiol?
You can request a quote for 4-Propoxypyrimidine-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-Propoxypyrimidine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Propoxypyrimidine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.