2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-hydroxyethyl)-4,4,6-trimethyl
TL;DR: 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-hydroxyethyl)-4,4,6-trimethyl (CAS 5339-75-3) is a chemical compound with molecular formula C9H16N2OS and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxyethyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
Also Known As: USAF K-1797, 1(4H)-Pyrimidineethanol, 2-mercapto-4,4,6-trimethyl-, 1(4H)-Pyrimidineethanol,4,6-trimethyl-, 1beta-Hydroxyethyl-2-thio-4,4,6-trimethyl dihydropyrimidine, 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-hydroxyethyl)-4,4,6-trimethyl
| Molecular Formula | C9H16N2OS |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 0.8512 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.09833 |
| Heavy Atoms | 13 |
| Complexity | 247.99925 |
Chemical Identifiers
| CAS Number | 5339-75-3 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1CCO)(C)C |
Product Overview
2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-hydroxyethyl)-4,4,6-trimethyl (CAS 5339-75-3), with molecular formula C9H16N2OS and molecular weight 200.10 g/mol. IUPAC: 3-(2-hydroxyethyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione.
Chemical Property Profile of 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-hydroxyethyl)-4,4,6-trimethyl
Property Insights of 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-hydroxyethyl)-4,4,6-trimethyl
The XLogP value of 0.8512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-hydroxyethyl)-4,4,6-trimethyl. With a topological polar surface area (TPSA) of 35.5 Ų, 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-hydroxyethyl)-4,4,6-trimethyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-hydroxyethyl)-4,4,6-trimethyl has 2 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 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-hydroxyethyl)-4,4,6-trimethyl?
The CAS number of 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-hydroxyethyl)-4,4,6-trimethyl is 5339-75-3.
What is the molecular formula of 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-hydroxyethyl)-4,4,6-trimethyl?
The molecular formula of 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-hydroxyethyl)-4,4,6-trimethyl is C9H16N2OS.
What is the molecular weight of 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-hydroxyethyl)-4,4,6-trimethyl?
The molecular weight of 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-hydroxyethyl)-4,4,6-trimethyl is 200.10 g/mol.
Where can I buy 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-hydroxyethyl)-4,4,6-trimethyl?
You can request a quote for 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-hydroxyethyl)-4,4,6-trimethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-hydroxyethyl)-4,4,6-trimethyl?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(2-hydroxyethyl)-4,4,6-trimethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.