3-methylpyrimidine-4(3H)-thione
TL;DR: 3-methylpyrimidine-4(3H)-thione (CAS 6146-25-4) is a chemical compound with molecular formula C5H6N2S and molecular weight 126.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylpyrimidine-4-thione
Also Known As: 3-methylpyrimidine-4-thione, 3-methylpyrimidine-4(3H)-thione, VQPDBGUNFUWGMK-UHFFFAOYSA-, 3-methyl-3H-pyrimidine-4-thione, pyrimidine, 1,6-dihydro-1-methyl-6-thio-
| Molecular Formula | C5H6N2S |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 47.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.02517 |
| Heavy Atoms | 8 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 6146-25-4 |
|---|---|
| SMILES | CN1C=NC=CC1=S |
| InChIKey | VQPDBGUNFUWGMK-UHFFFAOYSA-N |
Product Overview
3-methylpyrimidine-4(3H)-thione (CAS 6146-25-4), with molecular formula C5H6N2S and molecular weight 126.03 g/mol. IUPAC: 3-methylpyrimidine-4-thione.
Chemical Property Profile of 3-methylpyrimidine-4(3H)-thione
Property Insights of 3-methylpyrimidine-4(3H)-thione
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methylpyrimidine-4(3H)-thione. With a topological polar surface area (TPSA) of 47.7 Ų, 3-methylpyrimidine-4(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methylpyrimidine-4(3H)-thione has 0 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 3-methylpyrimidine-4(3H)-thione?
The CAS number of 3-methylpyrimidine-4(3H)-thione is 6146-25-4.
What is the molecular formula of 3-methylpyrimidine-4(3H)-thione?
The molecular formula of 3-methylpyrimidine-4(3H)-thione is C5H6N2S.
What is the molecular weight of 3-methylpyrimidine-4(3H)-thione?
The molecular weight of 3-methylpyrimidine-4(3H)-thione is 126.03 g/mol.
Where can I buy 3-methylpyrimidine-4(3H)-thione?
You can request a quote for 3-methylpyrimidine-4(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methylpyrimidine-4(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-methylpyrimidine-4(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.