2,4,6-Tribromophenyl isothiocyanate
TL;DR: 2,4,6-Tribromophenyl isothiocyanate (CAS 22134-11-8) is a chemical compound with molecular formula C7H2Br3NS and molecular weight 368.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-tribromo-2-isothiocyanatobenzene
Also Known As: 2,4,6-Tribromophenyl isothiocyanate, 1,3,5-Tribromo-2-isothiocyanatobenzene, FluorescentBrightener134, 2,4,6-Tribromophenylisothiocyanate, (2,4,6-tribromophenyl)isothiocyanate
| Molecular Formula | C7H2Br3NS |
|---|---|
| Molecular Weight | 368.75 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 368.74582 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 22134-11-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Br)N=C=S)Br)Br |
| InChIKey | ACYYDRJUIUJDCG-UHFFFAOYSA-N |
Product Overview
2,4,6-Tribromophenyl isothiocyanate (CAS 22134-11-8), with molecular formula C7H2Br3NS and molecular weight 368.75 g/mol. IUPAC: 1,3,5-tribromo-2-isothiocyanatobenzene.
Chemical Property Profile of 2,4,6-Tribromophenyl isothiocyanate
Property Insights of 2,4,6-Tribromophenyl isothiocyanate
The XLogP value of 5.4 indicates that 2,4,6-Tribromophenyl 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, 2,4,6-Tribromophenyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Tribromophenyl isothiocyanate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,6-Tribromophenyl isothiocyanate?
The CAS number of 2,4,6-Tribromophenyl isothiocyanate is 22134-11-8.
What is the molecular formula of 2,4,6-Tribromophenyl isothiocyanate?
The molecular formula of 2,4,6-Tribromophenyl isothiocyanate is C7H2Br3NS.
What is the molecular weight of 2,4,6-Tribromophenyl isothiocyanate?
The molecular weight of 2,4,6-Tribromophenyl isothiocyanate is 368.75 g/mol.
Where can I buy 2,4,6-Tribromophenyl isothiocyanate?
You can request a quote for 2,4,6-Tribromophenyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Tribromophenyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Tribromophenyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.