2-Bromo-1-{3-nitrophenyl}ethanethione
TL;DR: 2-Bromo-1-{3-nitrophenyl}ethanethione (CAS 353487-37-3) is a chemical compound with molecular formula C8H6BrNO2S and molecular weight 258.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(3-nitrophenyl)ethanethione
Also Known As: 2-bromo-1-{3-nitrophenyl}ethanethione, 2-Bromo-1-{3-nitrophenyl}, 2-bromo-1-(3-nitrophenyl)ethanethione, 2-bromo-1-(3-nitrophenyl)ethane-1-thione, AN-278/13643028
| Molecular Formula | C8H6BrNO2S |
|---|---|
| Molecular Weight | 258.93 g/mol |
| LogP | 2.7077 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.93027 |
| Heavy Atoms | 13 |
| Complexity | 353.7522 |
Chemical Identifiers
| CAS Number | 353487-37-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=S)CBr |
Product Overview
2-Bromo-1-{3-nitrophenyl}ethanethione (CAS 353487-37-3), with molecular formula C8H6BrNO2S and molecular weight 258.93 g/mol. IUPAC: 2-bromo-1-(3-nitrophenyl)ethanethione.
Chemical Property Profile of 2-Bromo-1-{3-nitrophenyl}ethanethione
Property Insights of 2-Bromo-1-{3-nitrophenyl}ethanethione
The XLogP value of 2.7077 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1-{3-nitrophenyl}ethanethione. With a topological polar surface area (TPSA) of 43.14 Ų, 2-Bromo-1-{3-nitrophenyl}ethanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-{3-nitrophenyl}ethanethione has 0 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 2-Bromo-1-{3-nitrophenyl}ethanethione?
The CAS number of 2-Bromo-1-{3-nitrophenyl}ethanethione is 353487-37-3.
What is the molecular formula of 2-Bromo-1-{3-nitrophenyl}ethanethione?
The molecular formula of 2-Bromo-1-{3-nitrophenyl}ethanethione is C8H6BrNO2S.
What is the molecular weight of 2-Bromo-1-{3-nitrophenyl}ethanethione?
The molecular weight of 2-Bromo-1-{3-nitrophenyl}ethanethione is 258.93 g/mol.
Where can I buy 2-Bromo-1-{3-nitrophenyl}ethanethione?
You can request a quote for 2-Bromo-1-{3-nitrophenyl}ethanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1-{3-nitrophenyl}ethanethione?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-{3-nitrophenyl}ethanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.