2-Bromophenylthiocyanate
TL;DR: 2-Bromophenylthiocyanate (CAS 55757-32-9) is a chemical compound with molecular formula C7H4BrNS and molecular weight 212.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl) thiocyanate
Also Known As: 2-Bromophenylthiocyanate, (2-bromophenyl) thiocyanate, 1-bromo-2-thiocyanatobenzene, o-Bromophenyl thiocyanate, 2-Bromophenyl thiocyanate
| Molecular Formula | C7H4BrNS |
|---|---|
| Molecular Weight | 212.92 g/mol |
| LogP | 3.02228 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.92477 |
| Heavy Atoms | 10 |
| Complexity | 266.55377 |
Chemical Identifiers
| CAS Number | 55757-32-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)SC#N)Br |
Product Overview
2-Bromophenylthiocyanate (CAS 55757-32-9), with molecular formula C7H4BrNS and molecular weight 212.92 g/mol. IUPAC: (2-bromophenyl) thiocyanate.
Chemical Property Profile of 2-Bromophenylthiocyanate
Property Insights of 2-Bromophenylthiocyanate
The XLogP value of 3.02228 indicates that 2-Bromophenylthiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 2-Bromophenylthiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromophenylthiocyanate 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 2-Bromophenylthiocyanate?
The CAS number of 2-Bromophenylthiocyanate is 55757-32-9.
What is the molecular formula of 2-Bromophenylthiocyanate?
The molecular formula of 2-Bromophenylthiocyanate is C7H4BrNS.
What is the molecular weight of 2-Bromophenylthiocyanate?
The molecular weight of 2-Bromophenylthiocyanate is 212.92 g/mol.
Where can I buy 2-Bromophenylthiocyanate?
You can request a quote for 2-Bromophenylthiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromophenylthiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromophenylthiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.