4,5,6-Trimethyl-2-pyrimidinethiol
TL;DR: 4,5,6-Trimethyl-2-pyrimidinethiol (CAS 17697-92-6) is a chemical compound with molecular formula C7H10N2S and molecular weight 154.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6-trimethyl-1H-pyrimidine-2-thione
Also Known As: 4,5,6-Trimethyl-pyrimidine-2-thiol, trimethylpyrimidine-2-thiol, 4,5,6-Trimethyl-2-pyrimidinethiol, 4,5,6-Trimethylpyrimidine-2-thiol, 4,5,6-trimethyl-1H-pyrimidine-2-thione
| Molecular Formula | C7H10N2S |
|---|---|
| Molecular Weight | 154.06 g/mol |
| LogP | 2.06445 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.05647 |
| Heavy Atoms | 10 |
| Complexity | 274.7147 |
Chemical Identifiers
| CAS Number | 17697-92-6 |
|---|---|
| SMILES | CC1=C(NC(=S)N=C1C)C |
Product Overview
4,5,6-Trimethyl-2-pyrimidinethiol (CAS 17697-92-6), with molecular formula C7H10N2S and molecular weight 154.06 g/mol. IUPAC: 4,5,6-trimethyl-1H-pyrimidine-2-thione.
Chemical Property Profile of 4,5,6-Trimethyl-2-pyrimidinethiol
Property Insights of 4,5,6-Trimethyl-2-pyrimidinethiol
The XLogP value of 2.06445 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6-Trimethyl-2-pyrimidinethiol. With a topological polar surface area (TPSA) of 28.68 Ų, 4,5,6-Trimethyl-2-pyrimidinethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6-Trimethyl-2-pyrimidinethiol 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 4,5,6-Trimethyl-2-pyrimidinethiol?
The CAS number of 4,5,6-Trimethyl-2-pyrimidinethiol is 17697-92-6.
What is the molecular formula of 4,5,6-Trimethyl-2-pyrimidinethiol?
The molecular formula of 4,5,6-Trimethyl-2-pyrimidinethiol is C7H10N2S.
What is the molecular weight of 4,5,6-Trimethyl-2-pyrimidinethiol?
The molecular weight of 4,5,6-Trimethyl-2-pyrimidinethiol is 154.06 g/mol.
Where can I buy 4,5,6-Trimethyl-2-pyrimidinethiol?
You can request a quote for 4,5,6-Trimethyl-2-pyrimidinethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6-Trimethyl-2-pyrimidinethiol?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6-Trimethyl-2-pyrimidinethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.