5-Bromo-6-sulfanylpyrimidine-4(3H)-thione
TL;DR: 5-Bromo-6-sulfanylpyrimidine-4(3H)-thione (CAS 6303-49-7) is a chemical compound with molecular formula C4H3BrN2S2 and molecular weight 221.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-4-sulfanyl-1H-pyrimidine-6-thione
Also Known As: 5-bromo-6-mercaptopyrimidine-4(3H)-thione, 5-bromo-4-sulfanyl-1H-pyrimidine-6-thione, 5-Bromo-6-sulfanylpyrimidine-4(3H)-thione, 4(3H)-Pyrimidinethione,5-bromo-6-mercapto, 4(3H)-Pyrimidinethione, 5-bromo-6-mercapto-
| Molecular Formula | C4H3BrN2S2 |
|---|---|
| Molecular Weight | 221.89 g/mol |
| LogP | 2.19039 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.8921 |
| Heavy Atoms | 9 |
| Complexity | 269.5153 |
Chemical Identifiers
| CAS Number | 6303-49-7 |
|---|---|
| SMILES | C1=NC(=C(C(=S)N1)Br)S |
Product Overview
5-Bromo-6-sulfanylpyrimidine-4(3H)-thione (CAS 6303-49-7), with molecular formula C4H3BrN2S2 and molecular weight 221.89 g/mol. IUPAC: 5-bromo-4-sulfanyl-1H-pyrimidine-6-thione.
Chemical Property Profile of 5-Bromo-6-sulfanylpyrimidine-4(3H)-thione
Property Insights of 5-Bromo-6-sulfanylpyrimidine-4(3H)-thione
The XLogP value of 2.19039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-6-sulfanylpyrimidine-4(3H)-thione. With a topological polar surface area (TPSA) of 28.68 Ų, 5-Bromo-6-sulfanylpyrimidine-4(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-6-sulfanylpyrimidine-4(3H)-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-Bromo-6-sulfanylpyrimidine-4(3H)-thione?
The CAS number of 5-Bromo-6-sulfanylpyrimidine-4(3H)-thione is 6303-49-7.
What is the molecular formula of 5-Bromo-6-sulfanylpyrimidine-4(3H)-thione?
The molecular formula of 5-Bromo-6-sulfanylpyrimidine-4(3H)-thione is C4H3BrN2S2.
What is the molecular weight of 5-Bromo-6-sulfanylpyrimidine-4(3H)-thione?
The molecular weight of 5-Bromo-6-sulfanylpyrimidine-4(3H)-thione is 221.89 g/mol.
Where can I buy 5-Bromo-6-sulfanylpyrimidine-4(3H)-thione?
You can request a quote for 5-Bromo-6-sulfanylpyrimidine-4(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-6-sulfanylpyrimidine-4(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-6-sulfanylpyrimidine-4(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.