2-Bromo-4-thiocyanatoaniline
TL;DR: 2-Bromo-4-thiocyanatoaniline (CAS 7493-98-3) is a chemical compound with molecular formula C7H5BrN2S and molecular weight 227.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-3-bromophenyl) thiocyanate
Also Known As: 2-BROMO-4-THIOCYANATOANILINE, 4-amino-3-bromophenyl thiocyanate, 2-Bromo-4-thiocyananiline, 2-bromo-4-thiocyanato-aniline, 2-Bromo-4-thiocyanoaniline
| Molecular Formula | C7H5BrN2S |
|---|---|
| Molecular Weight | 227.94 g/mol |
| LogP | 2.60448 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.93568 |
| Heavy Atoms | 11 |
| Complexity | 305.79916 |
Chemical Identifiers
| CAS Number | 7493-98-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1SC#N)Br)N |
Product Overview
2-Bromo-4-thiocyanatoaniline (CAS 7493-98-3), with molecular formula C7H5BrN2S and molecular weight 227.94 g/mol. IUPAC: (4-amino-3-bromophenyl) thiocyanate.
Chemical Property Profile of 2-Bromo-4-thiocyanatoaniline
Property Insights of 2-Bromo-4-thiocyanatoaniline
The XLogP value of 2.60448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-4-thiocyanatoaniline. With a topological polar surface area (TPSA) of 49.81 Ų, 2-Bromo-4-thiocyanatoaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-thiocyanatoaniline has 1 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-4-thiocyanatoaniline?
The CAS number of 2-Bromo-4-thiocyanatoaniline is 7493-98-3.
What is the molecular formula of 2-Bromo-4-thiocyanatoaniline?
The molecular formula of 2-Bromo-4-thiocyanatoaniline is C7H5BrN2S.
What is the molecular weight of 2-Bromo-4-thiocyanatoaniline?
The molecular weight of 2-Bromo-4-thiocyanatoaniline is 227.94 g/mol.
Where can I buy 2-Bromo-4-thiocyanatoaniline?
You can request a quote for 2-Bromo-4-thiocyanatoaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-thiocyanatoaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-thiocyanatoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.