4,4,6-trimethyl-1-(2,4,6-trichlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione
TL;DR: 4,4,6-trimethyl-1-(2,4,6-trichlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione (CAS 99796-49-3) is a chemical compound with molecular formula C13H13Cl3N2S and molecular weight 333.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6,6-trimethyl-3-(2,4,6-trichlorophenyl)-1H-pyrimidine-2-thione
Also Known As: 1-4,4,6-trimethyl-3,4-dihydro-2 -pyrimidinethione, 1- -4,4,6-trimethyl-3,4-dihydro-2 -pyrimidinethione, 4,4,6-trimethyl-1-(2,4,6-trichlorophenyl)-3H-pyrimidine-2-thione, 4,6,6-trimethyl-3-(2,4,6-trichlorophenyl)-1H-pyrimidine-2-thione, 1-(2,4,6-Trichlorophenyl)-4,4,6-trimethyl-3,4-dihydro-2(1H)-pyrimidinethione
| Molecular Formula | C13H13Cl3N2S |
|---|---|
| Molecular Weight | 333.99 g/mol |
| LogP | 5.0237 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 333.9865 |
| Heavy Atoms | 19 |
| Complexity | 558.2462 |
Chemical Identifiers
| CAS Number | 99796-49-3 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1C2=C(C=C(C=C2Cl)Cl)Cl)(C)C |
Product Overview
4,4,6-trimethyl-1-(2,4,6-trichlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione (CAS 99796-49-3), with molecular formula C13H13Cl3N2S and molecular weight 333.99 g/mol. IUPAC: 4,6,6-trimethyl-3-(2,4,6-trichlorophenyl)-1H-pyrimidine-2-thione.
Chemical Property Profile of 4,4,6-trimethyl-1-(2,4,6-trichlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione
Property Insights of 4,4,6-trimethyl-1-(2,4,6-trichlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione
The XLogP value of 5.0237 indicates that 4,4,6-trimethyl-1-(2,4,6-trichlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, 4,4,6-trimethyl-1-(2,4,6-trichlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,6-trimethyl-1-(2,4,6-trichlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4,6-trimethyl-1-(2,4,6-trichlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione?
The CAS number of 4,4,6-trimethyl-1-(2,4,6-trichlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione is 99796-49-3.
What is the molecular formula of 4,4,6-trimethyl-1-(2,4,6-trichlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione?
The molecular formula of 4,4,6-trimethyl-1-(2,4,6-trichlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione is C13H13Cl3N2S.
What is the molecular weight of 4,4,6-trimethyl-1-(2,4,6-trichlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione?
The molecular weight of 4,4,6-trimethyl-1-(2,4,6-trichlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione is 333.99 g/mol.
Where can I buy 4,4,6-trimethyl-1-(2,4,6-trichlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione?
You can request a quote for 4,4,6-trimethyl-1-(2,4,6-trichlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,6-trimethyl-1-(2,4,6-trichlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 4,4,6-trimethyl-1-(2,4,6-trichlorophenyl)-3,4-dihydropyrimidine-2(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.