5-(3-Chlorophenyl)-2-pyrimidinethiol
TL;DR: 5-(3-Chlorophenyl)-2-pyrimidinethiol (CAS 344281-77-2) 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-(3-chlorophenyl)-1H-pyrimidine-2-thione
Also Known As: 5-(3-chlorophenyl)-2-pyrimidinethiol, 5-(3-chlorophenyl)pyrimidine-2-thiol, 5-(3-chlorophenyl)-1H-pyrimidine-2-thione, 7J-600S, 5-(3-chlorophenyl)-1,2-dihydropyrimidine-2-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 | 486.97522 |
Chemical Identifiers
| CAS Number | 344281-77-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=CNC(=S)N=C2 |
Product Overview
5-(3-Chlorophenyl)-2-pyrimidinethiol (CAS 344281-77-2), with molecular formula C10H7ClN2S and molecular weight 222.00 g/mol. IUPAC: 5-(3-chlorophenyl)-1H-pyrimidine-2-thione.
Chemical Property Profile of 5-(3-Chlorophenyl)-2-pyrimidinethiol
Property Insights of 5-(3-Chlorophenyl)-2-pyrimidinethiol
The XLogP value of 3.45959 indicates that 5-(3-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, 5-(3-Chlorophenyl)-2-pyrimidinethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-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 5-(3-Chlorophenyl)-2-pyrimidinethiol?
The CAS number of 5-(3-Chlorophenyl)-2-pyrimidinethiol is 344281-77-2.
What is the molecular formula of 5-(3-Chlorophenyl)-2-pyrimidinethiol?
The molecular formula of 5-(3-Chlorophenyl)-2-pyrimidinethiol is C10H7ClN2S.
What is the molecular weight of 5-(3-Chlorophenyl)-2-pyrimidinethiol?
The molecular weight of 5-(3-Chlorophenyl)-2-pyrimidinethiol is 222.00 g/mol.
Where can I buy 5-(3-Chlorophenyl)-2-pyrimidinethiol?
You can request a quote for 5-(3-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 5-(3-Chlorophenyl)-2-pyrimidinethiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Chlorophenyl)-2-pyrimidinethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.