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Acetonitrile, [(4-bromophenyl)thio]-
TL;DR: Acetonitrile, [(4-bromophenyl)thio]- (CAS 50837-23-5) is a chemical compound with molecular formula C8H6BrNS and molecular weight 226.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)sulfanylacetonitrile
Also Known As: Acetonitrile, [(4-bromophenyl)thio]-, 2-(4-bromophenyl)sulfanylacetonitrile, 2-((4-Bromophenyl)thio)acetonitrile, 2-[(4-Bromophenyl)thio]acetonitrile, [(4-Bromophenyl)sulfanyl]acetonitrile
| Molecular Formula | C8H6BrNS |
|---|---|
| Molecular Weight | 226.94 g/mol |
| LogP | 3.06478 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.94043 |
| Heavy Atoms | 11 |
| Complexity | 262.4157 |
Chemical Identifiers
| CAS Number | 50837-23-5 |
|---|---|
| SMILES | C1=CC(=CC=C1SCC#N)Br |
Product Overview
Acetonitrile, [(4-bromophenyl)thio]- (CAS 50837-23-5), with molecular formula C8H6BrNS and molecular weight 226.94 g/mol. IUPAC: 2-(4-bromophenyl)sulfanylacetonitrile.
Chemical Property Profile of Acetonitrile, [(4-bromophenyl)thio]-
Property Insights of Acetonitrile, [(4-bromophenyl)thio]-
The XLogP value of 3.06478 indicates that Acetonitrile, [(4-bromophenyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, Acetonitrile, [(4-bromophenyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonitrile, [(4-bromophenyl)thio]- has 0 hydrogen bond donor(s) and 2 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 Acetonitrile, [(4-bromophenyl)thio]-?
The CAS number of Acetonitrile, [(4-bromophenyl)thio]- is 50837-23-5.
What is the molecular formula of Acetonitrile, [(4-bromophenyl)thio]-?
The molecular formula of Acetonitrile, [(4-bromophenyl)thio]- is C8H6BrNS.
What is the molecular weight of Acetonitrile, [(4-bromophenyl)thio]-?
The molecular weight of Acetonitrile, [(4-bromophenyl)thio]- is 226.94 g/mol.
Where can I buy Acetonitrile, [(4-bromophenyl)thio]-?
You can request a quote for Acetonitrile, [(4-bromophenyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile, [(4-bromophenyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, [(4-bromophenyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.