S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate
TL;DR: S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate (CAS 372499-59-7) is a chemical compound with molecular formula C13H10Cl2N2OS and molecular weight 311.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate
Also Known As: S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate, AP-906/41429718, 2,4-dichlorophenyl 4,6-dimethylpyrimidin-2-ylthio ketone, S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzothioate, S-(4,6-dimethyl-2-pyrimidinyl) 2,4-dichlorobenzenecarbothioate
| Molecular Formula | C13H10Cl2N2OS |
|---|---|
| Molecular Weight | 311.99 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.98907 |
| Heavy Atoms | 19 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 372499-59-7 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC(=O)C2=C(C=C(C=C2)Cl)Cl)C |
| InChIKey | JTSTTWQGAGWJJD-UHFFFAOYSA-N |
Product Overview
S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate (CAS 372499-59-7), with molecular formula C13H10Cl2N2OS and molecular weight 311.99 g/mol. IUPAC: S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate.
Chemical Property Profile of S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate
Property Insights of S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate
The XLogP value of 4.5 indicates that S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate. Following Lipinski's Rule of Five, S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate has 0 hydrogen bond donor(s) and 4 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 S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate?
The CAS number of S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate is 372499-59-7.
What is the molecular formula of S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate?
The molecular formula of S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate is C13H10Cl2N2OS.
What is the molecular weight of S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate?
The molecular weight of S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate is 311.99 g/mol.
Where can I buy S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate?
You can request a quote for S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4,6-dimethylpyrimidin-2-yl) 2,4-dichlorobenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.