3-(4-Nitrophenylthio)propyl bromide
TL;DR: 3-(4-Nitrophenylthio)propyl bromide (CAS 130634-59-2) is a chemical compound with molecular formula C9H10BrNO2S and molecular weight 274.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromopropylsulfanyl)-4-nitrobenzene
Also Known As: 3-(4-nitrophenylthio)propyl bromide, 1-(3-bromopropylsulfanyl)-4-nitro-benzene
| Molecular Formula | C9H10BrNO2S |
|---|---|
| Molecular Weight | 274.96 g/mol |
| LogP | 3.4719 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.96155 |
| Heavy Atoms | 14 |
| Complexity | 302.18518 |
Chemical Identifiers
| CAS Number | 130634-59-2 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])SCCCBr |
Product Overview
3-(4-Nitrophenylthio)propyl bromide (CAS 130634-59-2), with molecular formula C9H10BrNO2S and molecular weight 274.96 g/mol. IUPAC: 1-(3-bromopropylsulfanyl)-4-nitrobenzene.
Chemical Property Profile of 3-(4-Nitrophenylthio)propyl bromide
Property Insights of 3-(4-Nitrophenylthio)propyl bromide
The XLogP value of 3.4719 indicates that 3-(4-Nitrophenylthio)propyl bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 3-(4-Nitrophenylthio)propyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Nitrophenylthio)propyl bromide 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 3-(4-Nitrophenylthio)propyl bromide?
The CAS number of 3-(4-Nitrophenylthio)propyl bromide is 130634-59-2.
What is the molecular formula of 3-(4-Nitrophenylthio)propyl bromide?
The molecular formula of 3-(4-Nitrophenylthio)propyl bromide is C9H10BrNO2S.
What is the molecular weight of 3-(4-Nitrophenylthio)propyl bromide?
The molecular weight of 3-(4-Nitrophenylthio)propyl bromide is 274.96 g/mol.
Where can I buy 3-(4-Nitrophenylthio)propyl bromide?
You can request a quote for 3-(4-Nitrophenylthio)propyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Nitrophenylthio)propyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrophenylthio)propyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.