1,4-Dihydropyrimidine-4-thione
TL;DR: 1,4-Dihydropyrimidine-4-thione (CAS 132938-72-8) is a chemical compound with molecular formula C4H4N2S and molecular weight 112.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-pyrimidine-6-thione
Also Known As: pyrimidine-4-thiol, Pyrimidine-4(3H)-thione, 4-Pyrimidinethiol, 4(3H)-Pyrimidinethione, 1H-pyrimidine-6-thione
| Molecular Formula | C4H4N2S |
|---|---|
| Molecular Weight | 112.01 g/mol |
| LogP | 1.13919 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.00952 |
| Heavy Atoms | 7 |
| Complexity | 175.38622 |
Chemical Identifiers
| CAS Number | 132938-72-8 |
|---|---|
| SMILES | C1=CN=CNC1=S |
Product Overview
1,4-Dihydropyrimidine-4-thione (CAS 132938-72-8), with molecular formula C4H4N2S and molecular weight 112.01 g/mol. IUPAC: 1H-pyrimidine-6-thione.
Chemical Property Profile of 1,4-Dihydropyrimidine-4-thione
Property Insights of 1,4-Dihydropyrimidine-4-thione
The XLogP value of 1.13919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dihydropyrimidine-4-thione. With a topological polar surface area (TPSA) of 28.68 Ų, 1,4-Dihydropyrimidine-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dihydropyrimidine-4-thione 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 1,4-Dihydropyrimidine-4-thione?
The CAS number of 1,4-Dihydropyrimidine-4-thione is 132938-72-8.
What is the molecular formula of 1,4-Dihydropyrimidine-4-thione?
The molecular formula of 1,4-Dihydropyrimidine-4-thione is C4H4N2S.
What is the molecular weight of 1,4-Dihydropyrimidine-4-thione?
The molecular weight of 1,4-Dihydropyrimidine-4-thione is 112.01 g/mol.
Where can I buy 1,4-Dihydropyrimidine-4-thione?
You can request a quote for 1,4-Dihydropyrimidine-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dihydropyrimidine-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dihydropyrimidine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.