5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol
TL;DR: 5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol (CAS 82175-38-0) is a chemical compound with molecular formula C6H12N2S and molecular weight 144.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-1,3-diazinane-2-thione
Also Known As: 5,5-dimethyltetrahydropyrimidine-2(1H)-thione, 5,5-dimethyl-1,3-diazinane-2-thione, 5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol, 2(1H)-Pyrimidinethione, tetrahydro-5,5-dimethyl-, 5,5-dimethylhexahydropyrimidine-2-thione
| Molecular Formula | C6H12N2S |
|---|---|
| Molecular Weight | 144.07 g/mol |
| LogP | 0.4903 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.07211 |
| Heavy Atoms | 9 |
| Complexity | 119.01955 |
Chemical Identifiers
| CAS Number | 82175-38-0 |
|---|---|
| SMILES | CC1(CNC(=S)NC1)C |
Product Overview
5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol (CAS 82175-38-0), with molecular formula C6H12N2S and molecular weight 144.07 g/mol. IUPAC: 5,5-dimethyl-1,3-diazinane-2-thione.
Chemical Property Profile of 5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol
Property Insights of 5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol
The XLogP value of 0.4903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol. With a topological polar surface area (TPSA) of 24.06 Ų, 5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol has 2 hydrogen bond donor(s) and 1 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 5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol?
The CAS number of 5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol is 82175-38-0.
What is the molecular formula of 5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol?
The molecular formula of 5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol is C6H12N2S.
What is the molecular weight of 5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol?
The molecular weight of 5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol is 144.07 g/mol.
Where can I buy 5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol?
You can request a quote for 5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-1,4,5,6-tetrahydro-pyrimidine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.