1,1'-(Isothiocyanatomethanediyl)bis(4-bromobenzene)
TL;DR: 1,1'-(Isothiocyanatomethanediyl)bis(4-bromobenzene) (CAS 28455-14-3) is a chemical compound with molecular formula C14H9Br2NS and molecular weight 380.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-[(4-bromophenyl)-isothiocyanatomethyl]benzene
Also Known As: 1,1'-(isothiocyanatomethanediyl)bis(4-bromobenzene), 4,4'-dibromobenzhydryl isothiocyanate, 1,1'-(Isothiocyanatomethylene)bis(4-bromobenzene), 1-bromo-4-[(4-bromophenyl)-isothiocyanatomethyl]benzene, Benzene,1,1-(isothiocyanatomethylene)bis[4-bromo-
| Molecular Formula | C14H9Br2NS |
|---|---|
| Molecular Weight | 380.88 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.88226 |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 28455-14-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C2=CC=C(C=C2)Br)N=C=S)Br |
| InChIKey | IXTLZDNHQCVNAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-(Isothiocyanatomethanediyl)bis(4-bromobenzene) (CAS 28455-14-3), with molecular formula C14H9Br2NS and molecular weight 380.88 g/mol. IUPAC: 1-bromo-4-[(4-bromophenyl)-isothiocyanatomethyl]benzene.
Chemical Property Profile of 1,1'-(Isothiocyanatomethanediyl)bis(4-bromobenzene)
Property Insights of 1,1'-(Isothiocyanatomethanediyl)bis(4-bromobenzene)
The XLogP value of 6.3 indicates that 1,1'-(Isothiocyanatomethanediyl)bis(4-bromobenzene) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, 1,1'-(Isothiocyanatomethanediyl)bis(4-bromobenzene) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(Isothiocyanatomethanediyl)bis(4-bromobenzene) 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 1,1'-(Isothiocyanatomethanediyl)bis(4-bromobenzene)?
The CAS number of 1,1'-(Isothiocyanatomethanediyl)bis(4-bromobenzene) is 28455-14-3.
What is the molecular formula of 1,1'-(Isothiocyanatomethanediyl)bis(4-bromobenzene)?
The molecular formula of 1,1'-(Isothiocyanatomethanediyl)bis(4-bromobenzene) is C14H9Br2NS.
What is the molecular weight of 1,1'-(Isothiocyanatomethanediyl)bis(4-bromobenzene)?
The molecular weight of 1,1'-(Isothiocyanatomethanediyl)bis(4-bromobenzene) is 380.88 g/mol.
Where can I buy 1,1'-(Isothiocyanatomethanediyl)bis(4-bromobenzene)?
You can request a quote for 1,1'-(Isothiocyanatomethanediyl)bis(4-bromobenzene) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(Isothiocyanatomethanediyl)bis(4-bromobenzene)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(Isothiocyanatomethanediyl)bis(4-bromobenzene) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.