4-(4-Chlorophenyl)-2-pyrimidinethiol
TL;DR: 4-(4-Chlorophenyl)-2-pyrimidinethiol (CAS 175203-08-4) is a chemical compound with molecular formula C10H7ClN2S and molecular weight 222.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-1H-pyrimidine-2-thione
Also Known As: 4-(4-chlorophenyl)pyrimidine-2-thiol, Maybridge1_004888, 4-(4-chlorophenyl)-2-pyrimidinethiol, 6-(4-chlorophenyl)-1H-pyrimidine-2-thione, 2(1H)-Pyrimidinethione, 4-(4-chlorophenyl)-
| Molecular Formula | C10H7ClN2S |
|---|---|
| Molecular Weight | 222.00 g/mol |
| LogP | 3.45959 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.00185 |
| Heavy Atoms | 14 |
| Complexity | 489.97522 |
Chemical Identifiers
| CAS Number | 175203-08-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=NC(=S)N2)Cl |
Product Overview
4-(4-Chlorophenyl)-2-pyrimidinethiol (CAS 175203-08-4), with molecular formula C10H7ClN2S and molecular weight 222.00 g/mol. IUPAC: 6-(4-chlorophenyl)-1H-pyrimidine-2-thione.
Chemical Property Profile of 4-(4-Chlorophenyl)-2-pyrimidinethiol
Property Insights of 4-(4-Chlorophenyl)-2-pyrimidinethiol
The XLogP value of 3.45959 indicates that 4-(4-Chlorophenyl)-2-pyrimidinethiol 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-(4-Chlorophenyl)-2-pyrimidinethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-2-pyrimidinethiol 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-(4-Chlorophenyl)-2-pyrimidinethiol?
The CAS number of 4-(4-Chlorophenyl)-2-pyrimidinethiol is 175203-08-4.
What is the molecular formula of 4-(4-Chlorophenyl)-2-pyrimidinethiol?
The molecular formula of 4-(4-Chlorophenyl)-2-pyrimidinethiol is C10H7ClN2S.
What is the molecular weight of 4-(4-Chlorophenyl)-2-pyrimidinethiol?
The molecular weight of 4-(4-Chlorophenyl)-2-pyrimidinethiol is 222.00 g/mol.
Where can I buy 4-(4-Chlorophenyl)-2-pyrimidinethiol?
You can request a quote for 4-(4-Chlorophenyl)-2-pyrimidinethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenyl)-2-pyrimidinethiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-2-pyrimidinethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.