5-Amino-6-chloro-3,4-dihydropyrimidine-4-thione
TL;DR: 5-Amino-6-chloro-3,4-dihydropyrimidine-4-thione (CAS 54851-35-3) is a chemical compound with molecular formula C4H4ClN3S and molecular weight 160.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-6-chloro-1H-pyrimidine-4-thione
Also Known As: 5-Amino-6-chloropyrimidine-4-thiol, 5-amino-6-chloro-1H-pyrimidine-4-thione, 4-chloro-5-amino-6-mercaptopyrimidine, ETHYL4-FLUOROBENZOYLFORMATE, 5-amino-6-chloropyrimidine-4(1H)-thione
| Molecular Formula | C4H4ClN3S |
|---|---|
| Molecular Weight | 160.98 g/mol |
| LogP | 1.37479 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.98145 |
| Heavy Atoms | 9 |
| Complexity | 268.7604 |
Chemical Identifiers
| CAS Number | 54851-35-3 |
|---|---|
| SMILES | C1=NC(=S)C(=C(N1)Cl)N |
Product Overview
5-Amino-6-chloro-3,4-dihydropyrimidine-4-thione (CAS 54851-35-3), with molecular formula C4H4ClN3S and molecular weight 160.98 g/mol. IUPAC: 5-amino-6-chloro-1H-pyrimidine-4-thione.
Chemical Property Profile of 5-Amino-6-chloro-3,4-dihydropyrimidine-4-thione
Property Insights of 5-Amino-6-chloro-3,4-dihydropyrimidine-4-thione
The XLogP value of 1.37479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-6-chloro-3,4-dihydropyrimidine-4-thione. With a topological polar surface area (TPSA) of 54.7 Ų, 5-Amino-6-chloro-3,4-dihydropyrimidine-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-6-chloro-3,4-dihydropyrimidine-4-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 5-Amino-6-chloro-3,4-dihydropyrimidine-4-thione?
The CAS number of 5-Amino-6-chloro-3,4-dihydropyrimidine-4-thione is 54851-35-3.
What is the molecular formula of 5-Amino-6-chloro-3,4-dihydropyrimidine-4-thione?
The molecular formula of 5-Amino-6-chloro-3,4-dihydropyrimidine-4-thione is C4H4ClN3S.
What is the molecular weight of 5-Amino-6-chloro-3,4-dihydropyrimidine-4-thione?
The molecular weight of 5-Amino-6-chloro-3,4-dihydropyrimidine-4-thione is 160.98 g/mol.
Where can I buy 5-Amino-6-chloro-3,4-dihydropyrimidine-4-thione?
You can request a quote for 5-Amino-6-chloro-3,4-dihydropyrimidine-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-6-chloro-3,4-dihydropyrimidine-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-6-chloro-3,4-dihydropyrimidine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.