5-(4-Chlorophenyl)-4(3H)-pyrimidinethione
TL;DR: 5-(4-Chlorophenyl)-4(3H)-pyrimidinethione (CAS 1204-45-1) 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.
5-(4-chlorophenyl)-1H-pyrimidine-6-thione
Also Known As: 4-Pyrimidinethiol, 5-(4-chlorophenyl)-, 5-(4-Chlorophenyl)-4(3H)-pyrimidinethione, 5-(4-chlorophenyl)-1H-pyrimidine-6-thione, 5-(4-chlorophenyl)-3H-pyrimidine-4-thione, 5-(4-Chlorophenyl)pyrimidine-4(3H)-thione
| 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 | 1204-45-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CN=CNC2=S)Cl |
Product Overview
5-(4-Chlorophenyl)-4(3H)-pyrimidinethione (CAS 1204-45-1), with molecular formula C10H7ClN2S and molecular weight 222.00 g/mol. IUPAC: 5-(4-chlorophenyl)-1H-pyrimidine-6-thione.
Chemical Property Profile of 5-(4-Chlorophenyl)-4(3H)-pyrimidinethione
Property Insights of 5-(4-Chlorophenyl)-4(3H)-pyrimidinethione
The XLogP value of 3.45959 indicates that 5-(4-Chlorophenyl)-4(3H)-pyrimidinethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 5-(4-Chlorophenyl)-4(3H)-pyrimidinethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Chlorophenyl)-4(3H)-pyrimidinethione 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 5-(4-Chlorophenyl)-4(3H)-pyrimidinethione?
The CAS number of 5-(4-Chlorophenyl)-4(3H)-pyrimidinethione is 1204-45-1.
What is the molecular formula of 5-(4-Chlorophenyl)-4(3H)-pyrimidinethione?
The molecular formula of 5-(4-Chlorophenyl)-4(3H)-pyrimidinethione is C10H7ClN2S.
What is the molecular weight of 5-(4-Chlorophenyl)-4(3H)-pyrimidinethione?
The molecular weight of 5-(4-Chlorophenyl)-4(3H)-pyrimidinethione is 222.00 g/mol.
Where can I buy 5-(4-Chlorophenyl)-4(3H)-pyrimidinethione?
You can request a quote for 5-(4-Chlorophenyl)-4(3H)-pyrimidinethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chlorophenyl)-4(3H)-pyrimidinethione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorophenyl)-4(3H)-pyrimidinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.