4-Bromophenyl isothiocyanate
TL;DR: 4-Bromophenyl isothiocyanate (CAS 1985-12-2) is a chemical compound with molecular formula C7H4BrNS and molecular weight 212.92477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-4-isothiocyanatobenzene
Also Known As: 4-Bromophenyl isothiocyanate, Trichofytocid, 4-Bromophenylisothiocyanate, 1-Bromo-4-isothiocyanatobenzene, Benzene, 1-bromo-4-isothiocyanato-
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4BrNS |
| Molecular Weight | 212.92477 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.92477 Da |
| Heavy Atoms | 10 |
| Complexity | 146.0 |
| SMILES | C1=CC(=CC=C1N=C=S)Br |
| InChIKey | XQACWEBGSZBLRG-UHFFFAOYSA-N |
Product Description
Applications: 4-Bromophenyl isothiocyanate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Bromophenyl isothiocyanate (CAS 1985-12-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 4-Bromophenyl isothiocyanate (CAS 1985-12-2) has the molecular formula C7H4BrNS and a molecular weight of 212.92 g/mol. It is also known as 4-Bromophenyl isothiocyanate and Trichofytocid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Bromophenyl isothiocyanate
Property Insights of 4-Bromophenyl isothiocyanate
The XLogP value of 4.0 indicates that 4-Bromophenyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, 4-Bromophenyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenyl isothiocyanate 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
What is the CAS number of 4-Bromophenyl isothiocyanate?
The CAS number of 4-Bromophenyl isothiocyanate is 1985-12-2.
What is the molecular formula of 4-Bromophenyl isothiocyanate?
The molecular formula of 4-Bromophenyl isothiocyanate is C7H4BrNS.
What is the molecular weight of 4-Bromophenyl isothiocyanate?
The molecular weight of 4-Bromophenyl isothiocyanate is 212.92477 g/mol.
What are the applications of 4-Bromophenyl isothiocyanate?
4-Bromophenyl isothiocyanate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Bromophenyl...
Where can I buy 4-Bromophenyl isothiocyanate?
You can request a quote for 4-Bromophenyl isothiocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromophenyl isothiocyanate?
Yes, CoreyChem provides custom synthesis services for 4-Bromophenyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.