O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate
TL;DR: O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate (CAS 41840-28-2) is a chemical compound with molecular formula C11H16N2O2S and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (4,6-dimethylpyrimidin-2-yl)sulfanylformate
Also Known As: s-Boc-2-mercapto-4,6-dimethylpyrimidine, Boc-S, Boc-SDP, Maybridge1_006865, O-tert-Butyl S-(4,6-dimethylpyrimidin-2-yl) carbonothioate
| Molecular Formula | C11H16N2O2S |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.09325 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 41840-28-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC(=O)OC(C)(C)C)C |
| InChIKey | POTDIELOEHTPJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate (CAS 41840-28-2), with molecular formula C11H16N2O2S and molecular weight 240.09 g/mol. IUPAC: tert-butyl (4,6-dimethylpyrimidin-2-yl)sulfanylformate.
Chemical Property Profile of O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate
Property Insights of O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate
The XLogP value of 3.0 indicates that O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate. Following Lipinski's Rule of Five, O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate has 0 hydrogen bond donor(s) and 5 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 O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate?
The CAS number of O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate is 41840-28-2.
What is the molecular formula of O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate?
The molecular formula of O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate is C11H16N2O2S.
What is the molecular weight of O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate?
The molecular weight of O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate is 240.09 g/mol.
Where can I buy O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate?
You can request a quote for O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.