2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-4,4,6-trimethyl-
TL;DR: 2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-4,4,6-trimethyl- (CAS 18957-53-4) is a chemical compound with molecular formula C10H18N2S and molecular weight 198.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6,6-trimethyl-3-propyl-1H-pyrimidine-2-thione
Also Known As: 2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-4,4,6-trimethyl-, 3,4-Dihydro-1-propyl-4,4,6-trimethyl-2(1H)-pyrimidinethione, 4,6,6-trimethyl-3-propyl-1H-pyrimidine-2-thione, 4,4,6-Trimethyl-1-propyl-3,4-dihydropyrimidine-2(1H)-thione, 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-propyl-
| Molecular Formula | C10H18N2S |
|---|---|
| Molecular Weight | 198.12 g/mol |
| LogP | 2.2689 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.11906 |
| Heavy Atoms | 13 |
| Complexity | 243.3093 |
Chemical Identifiers
| CAS Number | 18957-53-4 |
|---|---|
| SMILES | CCCN1C(=CC(NC1=S)(C)C)C |
Product Overview
2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-4,4,6-trimethyl- (CAS 18957-53-4), with molecular formula C10H18N2S and molecular weight 198.12 g/mol. IUPAC: 4,6,6-trimethyl-3-propyl-1H-pyrimidine-2-thione.
Chemical Property Profile of 2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-4,4,6-trimethyl-
Property Insights of 2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-4,4,6-trimethyl-
The XLogP value of 2.2689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-4,4,6-trimethyl-. With a topological polar surface area (TPSA) of 15.27 Ų, 2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-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-propyl-4,4,6-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, 3,4-dihydro-1-propyl-4,4,6-trimethyl-?
The CAS number of 2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-4,4,6-trimethyl- is 18957-53-4.
What is the molecular formula of 2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-4,4,6-trimethyl-?
The molecular formula of 2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-4,4,6-trimethyl- is C10H18N2S.
What is the molecular weight of 2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-4,4,6-trimethyl-?
The molecular weight of 2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-4,4,6-trimethyl- is 198.12 g/mol.
Where can I buy 2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-4,4,6-trimethyl-?
You can request a quote for 2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-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-propyl-4,4,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-4,4,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.