2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-4,4,6-trimethyl-
TL;DR: 2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-4,4,6-trimethyl- (CAS 37929-28-5) is a chemical compound with molecular formula C11H20N2S and molecular weight 212.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-4,6,6-trimethyl-1H-pyrimidine-2-thione
Also Known As: USAF K-1339, 3-butyl-4,6,6-trimethyl-1H-pyrimidine-2-thione, 1-(n-Butyl)-2-thio-4,4,6-trimethyl dihydropyrimidine, 2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-4,4,6-trimethyl-, 2-mercapto-3-n-butyl-4,6,6-trimethylpyrimidine
| Molecular Formula | C11H20N2S |
|---|---|
| Molecular Weight | 212.13 g/mol |
| LogP | 2.659 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.13472 |
| Heavy Atoms | 14 |
| Complexity | 256.01315 |
Chemical Identifiers
| CAS Number | 37929-28-5 |
|---|---|
| SMILES | CCCCN1C(=CC(NC1=S)(C)C)C |
Product Overview
2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-4,4,6-trimethyl- (CAS 37929-28-5), with molecular formula C11H20N2S and molecular weight 212.13 g/mol. IUPAC: 3-butyl-4,6,6-trimethyl-1H-pyrimidine-2-thione.
Chemical Property Profile of 2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-4,4,6-trimethyl-
Property Insights of 2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-4,4,6-trimethyl-
The XLogP value of 2.659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-4,4,6-trimethyl-. With a topological polar surface area (TPSA) of 15.27 Ų, 2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-4,4,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-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, 1-butyl-3,4-dihydro-4,4,6-trimethyl-?
The CAS number of 2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-4,4,6-trimethyl- is 37929-28-5.
What is the molecular formula of 2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-4,4,6-trimethyl-?
The molecular formula of 2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-4,4,6-trimethyl- is C11H20N2S.
What is the molecular weight of 2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-4,4,6-trimethyl-?
The molecular weight of 2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-4,4,6-trimethyl- is 212.13 g/mol.
Where can I buy 2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-4,4,6-trimethyl-?
You can request a quote for 2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-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, 1-butyl-3,4-dihydro-4,4,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-4,4,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.