4(3H)-Pyrimidinethione, 2-methyl-
TL;DR: 4(3H)-Pyrimidinethione, 2-methyl- (CAS 33643-86-6) 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.
2-methyl-1H-pyrimidine-6-thione
Also Known As: starbld0030765, 2-Methylpyrimidine-4-thiol, 2-Methyl-4-pyrimidinethiol, 4(3H)-Pyrimidinethione, 2-methyl-, 2-methyl-4-thioxo-pyrimidine
| Molecular Formula | C5H6N2S |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | 1.44761 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.02517 |
| Heavy Atoms | 8 |
| Complexity | 227.87032 |
Chemical Identifiers
| CAS Number | 33643-86-6 |
|---|---|
| SMILES | CC1=NC=CC(=S)N1 |
Product Overview
4(3H)-Pyrimidinethione, 2-methyl- (CAS 33643-86-6), with molecular formula C5H6N2S and molecular weight 126.03 g/mol. IUPAC: 2-methyl-1H-pyrimidine-6-thione.
Chemical Property Profile of 4(3H)-Pyrimidinethione, 2-methyl-
Property Insights of 4(3H)-Pyrimidinethione, 2-methyl-
The XLogP value of 1.44761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(3H)-Pyrimidinethione, 2-methyl-. With a topological polar surface area (TPSA) of 28.68 Ų, 4(3H)-Pyrimidinethione, 2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Pyrimidinethione, 2-methyl- 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 4(3H)-Pyrimidinethione, 2-methyl-?
The CAS number of 4(3H)-Pyrimidinethione, 2-methyl- is 33643-86-6.
What is the molecular formula of 4(3H)-Pyrimidinethione, 2-methyl-?
The molecular formula of 4(3H)-Pyrimidinethione, 2-methyl- is C5H6N2S.
What is the molecular weight of 4(3H)-Pyrimidinethione, 2-methyl-?
The molecular weight of 4(3H)-Pyrimidinethione, 2-methyl- is 126.03 g/mol.
Where can I buy 4(3H)-Pyrimidinethione, 2-methyl-?
You can request a quote for 4(3H)-Pyrimidinethione, 2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(3H)-Pyrimidinethione, 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4(3H)-Pyrimidinethione, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.