2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-
TL;DR: 2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl- (CAS 37489-49-9) is a chemical compound with molecular formula C13H15ClN2S and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
Also Known As: USAF K-1348, 2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-, 2(1H)-Pyrimidinethione, 1-(3-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-, 3-(3-chlorophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione, 1-(3-Chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-2(1H)-pyrimidinethione
| Molecular Formula | C13H15ClN2S |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.06445 |
| Heavy Atoms | 17 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 37489-49-9 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1C2=CC(=CC=C2)Cl)(C)C |
| InChIKey | HSKCSMAIVPLPLJ-UHFFFAOYSA-N |
Product Overview
2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl- (CAS 37489-49-9), with molecular formula C13H15ClN2S and molecular weight 266.06 g/mol. IUPAC: 3-(3-chlorophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione.
Chemical Property Profile of 2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-
Property Insights of 2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-
The XLogP value of 3.3 indicates that 2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.4 Ų, 2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-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-(m-chlorophenyl)-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-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-?
The CAS number of 2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl- is 37489-49-9.
What is the molecular formula of 2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-?
The molecular formula of 2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl- is C13H15ClN2S.
What is the molecular weight of 2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-?
The molecular weight of 2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl- is 266.06 g/mol.
Where can I buy 2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-?
You can request a quote for 2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-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-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.