4-Bromo-5-chloro-2-methylphenylisothiocyanate
TL;DR: 4-Bromo-5-chloro-2-methylphenylisothiocyanate (CAS 886501-19-5) is a chemical compound with molecular formula C8H5BrClNS and molecular weight 260.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-chloro-4-isothiocyanato-5-methylbenzene
Also Known As: 3-Deoxyuridine, 4-Bromo-5-chloro-2-methylphenylisothiocyanate, 1-bromo-2-chloro-4-isothiocyanato-5-methylbenzene, 4-bromo-5-chloro-2-methylphenyl isothiocyanate, 1-bromo-2-chloro-4-isothiocyanato-5-methyl-benzene
| Molecular Formula | C8H5BrClNS |
|---|---|
| Molecular Weight | 260.90 g/mol |
| LogP | 4.14522 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.90146 |
| Heavy Atoms | 12 |
| Complexity | 358.32065 |
Chemical Identifiers
| CAS Number | 886501-19-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N=C=S)Cl)Br |
Product Overview
4-Bromo-5-chloro-2-methylphenylisothiocyanate (CAS 886501-19-5), with molecular formula C8H5BrClNS and molecular weight 260.90 g/mol. IUPAC: 1-bromo-2-chloro-4-isothiocyanato-5-methylbenzene.
Chemical Property Profile of 4-Bromo-5-chloro-2-methylphenylisothiocyanate
Property Insights of 4-Bromo-5-chloro-2-methylphenylisothiocyanate
The XLogP value of 4.14522 indicates that 4-Bromo-5-chloro-2-methylphenylisothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, 4-Bromo-5-chloro-2-methylphenylisothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-5-chloro-2-methylphenylisothiocyanate 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 4-Bromo-5-chloro-2-methylphenylisothiocyanate?
The CAS number of 4-Bromo-5-chloro-2-methylphenylisothiocyanate is 886501-19-5.
What is the molecular formula of 4-Bromo-5-chloro-2-methylphenylisothiocyanate?
The molecular formula of 4-Bromo-5-chloro-2-methylphenylisothiocyanate is C8H5BrClNS.
What is the molecular weight of 4-Bromo-5-chloro-2-methylphenylisothiocyanate?
The molecular weight of 4-Bromo-5-chloro-2-methylphenylisothiocyanate is 260.90 g/mol.
Where can I buy 4-Bromo-5-chloro-2-methylphenylisothiocyanate?
You can request a quote for 4-Bromo-5-chloro-2-methylphenylisothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-5-chloro-2-methylphenylisothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-5-chloro-2-methylphenylisothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.