6-amino-5-(3-chlorophenyl)pyrimidine-2(1H)-thione
TL;DR: 6-amino-5-(3-chlorophenyl)pyrimidine-2(1H)-thione (CAS 91587-77-8) is a chemical compound with molecular formula C10H8ClN3S and molecular weight 237.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-(3-chlorophenyl)-1H-pyrimidine-2-thione
Also Known As: SDCCGSBI-0661361.P001, 4-amino-5-(3-chlorophenyl)pyrimidine-2(1H)-thione, 6-amino-5-(3-chlorophenyl)-1H-pyrimidine-2-thione, 6-amino-5-(3-chlorophenyl)pyrimidine-2(1H)-thione, 6-amino-5-(3-chlorophenyl)-3-hydropyrimidine-2-thione
| Molecular Formula | C10H8ClN3S |
|---|---|
| Molecular Weight | 237.01 g/mol |
| LogP | 3.04179 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.01274 |
| Heavy Atoms | 15 |
| Complexity | 550.35895 |
Chemical Identifiers
| CAS Number | 91587-77-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=C(NC(=S)N=C2)N |
Product Overview
6-amino-5-(3-chlorophenyl)pyrimidine-2(1H)-thione (CAS 91587-77-8), with molecular formula C10H8ClN3S and molecular weight 237.01 g/mol. IUPAC: 6-amino-5-(3-chlorophenyl)-1H-pyrimidine-2-thione.
Chemical Property Profile of 6-amino-5-(3-chlorophenyl)pyrimidine-2(1H)-thione
Property Insights of 6-amino-5-(3-chlorophenyl)pyrimidine-2(1H)-thione
The XLogP value of 3.04179 indicates that 6-amino-5-(3-chlorophenyl)pyrimidine-2(1H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, 6-amino-5-(3-chlorophenyl)pyrimidine-2(1H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-amino-5-(3-chlorophenyl)pyrimidine-2(1H)-thione has 2 hydrogen bond donor(s) and 3 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 6-amino-5-(3-chlorophenyl)pyrimidine-2(1H)-thione?
The CAS number of 6-amino-5-(3-chlorophenyl)pyrimidine-2(1H)-thione is 91587-77-8.
What is the molecular formula of 6-amino-5-(3-chlorophenyl)pyrimidine-2(1H)-thione?
The molecular formula of 6-amino-5-(3-chlorophenyl)pyrimidine-2(1H)-thione is C10H8ClN3S.
What is the molecular weight of 6-amino-5-(3-chlorophenyl)pyrimidine-2(1H)-thione?
The molecular weight of 6-amino-5-(3-chlorophenyl)pyrimidine-2(1H)-thione is 237.01 g/mol.
Where can I buy 6-amino-5-(3-chlorophenyl)pyrimidine-2(1H)-thione?
You can request a quote for 6-amino-5-(3-chlorophenyl)pyrimidine-2(1H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-5-(3-chlorophenyl)pyrimidine-2(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-5-(3-chlorophenyl)pyrimidine-2(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.