2-(Methylthio)pyrimidine-4(3H)-thione
TL;DR: 2-(Methylthio)pyrimidine-4(3H)-thione (CAS 6303-54-4) is a chemical compound with molecular formula C5H6N2S2 and molecular weight 158.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-1H-pyrimidine-6-thione
Also Known As: 2-(Methylthio)pyrimidine-4(3H)-thione, 2-Methylthio-4-thiouracil, 4-thio-2-methylthiopyrimidine, 2-methylsulfanyl-3H-pyrimidine-4-thione, 2-methylsulfanyl-1H-pyrimidine-6-thione
| Molecular Formula | C5H6N2S2 |
|---|---|
| Molecular Weight | 158.00 g/mol |
| LogP | 1.86109 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.99724 |
| Heavy Atoms | 9 |
| Complexity | 242.71335 |
Chemical Identifiers
| CAS Number | 6303-54-4 |
|---|---|
| SMILES | CSC1=NC=CC(=S)N1 |
Product Overview
2-(Methylthio)pyrimidine-4(3H)-thione (CAS 6303-54-4), with molecular formula C5H6N2S2 and molecular weight 158.00 g/mol. IUPAC: 2-methylsulfanyl-1H-pyrimidine-6-thione.
Chemical Property Profile of 2-(Methylthio)pyrimidine-4(3H)-thione
Property Insights of 2-(Methylthio)pyrimidine-4(3H)-thione
The XLogP value of 1.86109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)pyrimidine-4(3H)-thione. With a topological polar surface area (TPSA) of 28.68 Ų, 2-(Methylthio)pyrimidine-4(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylthio)pyrimidine-4(3H)-thione 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 2-(Methylthio)pyrimidine-4(3H)-thione?
The CAS number of 2-(Methylthio)pyrimidine-4(3H)-thione is 6303-54-4.
What is the molecular formula of 2-(Methylthio)pyrimidine-4(3H)-thione?
The molecular formula of 2-(Methylthio)pyrimidine-4(3H)-thione is C5H6N2S2.
What is the molecular weight of 2-(Methylthio)pyrimidine-4(3H)-thione?
The molecular weight of 2-(Methylthio)pyrimidine-4(3H)-thione is 158.00 g/mol.
Where can I buy 2-(Methylthio)pyrimidine-4(3H)-thione?
You can request a quote for 2-(Methylthio)pyrimidine-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 2-(Methylthio)pyrimidine-4(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)pyrimidine-4(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.