4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
TL;DR: 4-(3,5-Dichlorophenyl)pyrimidine-2-thiol (CAS 832739-73-8) is a chemical compound with molecular formula C10H6Cl2N2S and molecular weight 255.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,5-dichlorophenyl)-1H-pyrimidine-2-thione
Also Known As: 4-(3,5-dichlorophenyl)pyrimidine-2-thiol, 4-(3,5-Dichloro-phenyl)-pyrimidine-2-thiol, 6-(3,5-dichlorophenyl)-1H-pyrimidine-2-thione, 4-(3,5-dichlorophenyl)-1H-pyrimidine-2-thione, 4-(3,5-DICHLOROPHENYL)-2-PYRIMIDINETHIOL
| Molecular Formula | C10H6Cl2N2S |
|---|---|
| Molecular Weight | 255.96 g/mol |
| LogP | 4.11299 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.96288 |
| Heavy Atoms | 15 |
| Complexity | 530.86383 |
Chemical Identifiers
| CAS Number | 832739-73-8 |
|---|---|
| SMILES | C1=C(NC(=S)N=C1)C2=CC(=CC(=C2)Cl)Cl |
Product Overview
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol (CAS 832739-73-8), with molecular formula C10H6Cl2N2S and molecular weight 255.96 g/mol. IUPAC: 6-(3,5-dichlorophenyl)-1H-pyrimidine-2-thione.
Chemical Property Profile of 4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
Property Insights of 4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
The XLogP value of 4.11299 indicates that 4-(3,5-Dichlorophenyl)pyrimidine-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 4-(3,5-Dichlorophenyl)pyrimidine-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,5-Dichlorophenyl)pyrimidine-2-thiol has 1 hydrogen bond donor(s) and 2 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 4-(3,5-Dichlorophenyl)pyrimidine-2-thiol?
The CAS number of 4-(3,5-Dichlorophenyl)pyrimidine-2-thiol is 832739-73-8.
What is the molecular formula of 4-(3,5-Dichlorophenyl)pyrimidine-2-thiol?
The molecular formula of 4-(3,5-Dichlorophenyl)pyrimidine-2-thiol is C10H6Cl2N2S.
What is the molecular weight of 4-(3,5-Dichlorophenyl)pyrimidine-2-thiol?
The molecular weight of 4-(3,5-Dichlorophenyl)pyrimidine-2-thiol is 255.96 g/mol.
Where can I buy 4-(3,5-Dichlorophenyl)pyrimidine-2-thiol?
You can request a quote for 4-(3,5-Dichlorophenyl)pyrimidine-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,5-Dichlorophenyl)pyrimidine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-Dichlorophenyl)pyrimidine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.