2(1H)-Pyrimidinethione, tetrahydro-3-phenyl-4,6,6-trimethyl-
TL;DR: 2(1H)-Pyrimidinethione, tetrahydro-3-phenyl-4,6,6-trimethyl- (CAS 36815-96-0) is a chemical compound with molecular formula C13H18N2S and molecular weight 234.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,6-trimethyl-1-phenyl-1,3-diazinane-2-thione
Also Known As: 3-Phenyl-4,6,6-trimethyl-tetrahydro-2(1H)-pyrimidinethione, 2(1H)-Pyrimidinethione, tetrahydro-3-phenyl-4,6,6-trimethyl-, 4,4,6-trimethyl-1-phenyl-1,3-diazinane-2-thione, 1-Phenyl-4,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine-2-thione, 1-Fenyl-4,4,6-trimethyl-1,2,3,4-tetrahydropyrimidin-2-thion [Czech]
| Molecular Formula | C13H18N2S |
|---|---|
| Molecular Weight | 234.12 g/mol |
| LogP | 2.9383 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.11906 |
| Heavy Atoms | 16 |
| Complexity | 386.1789 |
Chemical Identifiers
| CAS Number | 36815-96-0 |
|---|---|
| SMILES | CC1CC(NC(=S)N1C2=CC=CC=C2)(C)C |
Product Overview
2(1H)-Pyrimidinethione, tetrahydro-3-phenyl-4,6,6-trimethyl- (CAS 36815-96-0), with molecular formula C13H18N2S and molecular weight 234.12 g/mol. IUPAC: 4,4,6-trimethyl-1-phenyl-1,3-diazinane-2-thione.
Chemical Property Profile of 2(1H)-Pyrimidinethione, tetrahydro-3-phenyl-4,6,6-trimethyl-
Property Insights of 2(1H)-Pyrimidinethione, tetrahydro-3-phenyl-4,6,6-trimethyl-
The XLogP value of 2.9383 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Pyrimidinethione, tetrahydro-3-phenyl-4,6,6-trimethyl-. With a topological polar surface area (TPSA) of 15.27 Ų, 2(1H)-Pyrimidinethione, tetrahydro-3-phenyl-4,6,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(1H)-Pyrimidinethione, tetrahydro-3-phenyl-4,6,6-trimethyl- has 1 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 2(1H)-Pyrimidinethione, tetrahydro-3-phenyl-4,6,6-trimethyl-?
The CAS number of 2(1H)-Pyrimidinethione, tetrahydro-3-phenyl-4,6,6-trimethyl- is 36815-96-0.
What is the molecular formula of 2(1H)-Pyrimidinethione, tetrahydro-3-phenyl-4,6,6-trimethyl-?
The molecular formula of 2(1H)-Pyrimidinethione, tetrahydro-3-phenyl-4,6,6-trimethyl- is C13H18N2S.
What is the molecular weight of 2(1H)-Pyrimidinethione, tetrahydro-3-phenyl-4,6,6-trimethyl-?
The molecular weight of 2(1H)-Pyrimidinethione, tetrahydro-3-phenyl-4,6,6-trimethyl- is 234.12 g/mol.
Where can I buy 2(1H)-Pyrimidinethione, tetrahydro-3-phenyl-4,6,6-trimethyl-?
You can request a quote for 2(1H)-Pyrimidinethione, tetrahydro-3-phenyl-4,6,6-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, tetrahydro-3-phenyl-4,6,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Pyrimidinethione, tetrahydro-3-phenyl-4,6,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.