4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol
TL;DR: 4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol (CAS 6966-57-0) is a chemical compound with molecular formula C7H16N2OS and molecular weight 176.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6,6-trimethyl-2-sulfanyl-1,3-diazinan-4-ol
Also Known As: 4,6,6-trimethyl-2-sulfanylhexahydropyrimidin-4-ol, 4,6,6-trimethyl-2-sulfanyl-1,3-diazinan-4-ol, 2-mercapto-4,6,6-trimethylhexahydro-4-pyrimidinol, 2-mercapto-4,6,6-trimethylhexahydropyrimidin-4-ol
| Molecular Formula | C7H16N2OS |
|---|---|
| Molecular Weight | 176.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.09833 |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 6966-57-0 |
|---|---|
| SMILES | CC1(CC(NC(N1)S)(C)O)C |
| InChIKey | HMSWFBXXGOMYTB-UHFFFAOYSA-N |
Product Overview
4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol (CAS 6966-57-0), with molecular formula C7H16N2OS and molecular weight 176.10 g/mol. IUPAC: 4,6,6-trimethyl-2-sulfanyl-1,3-diazinan-4-ol.
Chemical Property Profile of 4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol
Property Insights of 4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol. With a topological polar surface area (TPSA) of 45.3 Ų, 4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol has 4 hydrogen bond donor(s) and 4 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 4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol?
The CAS number of 4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol is 6966-57-0.
What is the molecular formula of 4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol?
The molecular formula of 4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol is C7H16N2OS.
What is the molecular weight of 4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol?
The molecular weight of 4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol is 176.10 g/mol.
Where can I buy 4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol?
You can request a quote for 4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 4,6,6-Trimethyl-2-sulfanylhexahydropyrimidin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.