2-Bromoethyl isothiocyanate
TL;DR: 2-Bromoethyl isothiocyanate (CAS 1483-41-6) is a chemical compound with molecular formula C(CBr)N=C=S and molecular weight 164.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-isothiocyanatoethane
Also Known As: 2-Bromoethyl isothiocyanate, Ivarimods, 1-Bromo-2-isothiocyanatoethane, 2-Bromoethyl isocyanate, sGXDLLRaBRkTh@
| Molecular Formula | C(CBr)N=C=S |
|---|---|
| Molecular Weight | 164.92 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.92477 |
| Heavy Atoms | 6 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 1483-41-6 |
|---|---|
| SMILES | C(CBr)N=C=S |
| InChIKey | SGJVENMTWFTZOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromoethyl isothiocyanate (CAS 1483-41-6), with molecular formula C(CBr)N=C=S and molecular weight 164.92 g/mol. IUPAC: 1-bromo-2-isothiocyanatoethane.
Chemical Property Profile of 2-Bromoethyl isothiocyanate
Property Insights of 2-Bromoethyl isothiocyanate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromoethyl isothiocyanate. With a topological polar surface area (TPSA) of 44.5 Ų, 2-Bromoethyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromoethyl 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
Frequently Asked Questions
What is the CAS number of 2-Bromoethyl isothiocyanate?
The CAS number of 2-Bromoethyl isothiocyanate is 1483-41-6.
What is the molecular formula of 2-Bromoethyl isothiocyanate?
The molecular formula of 2-Bromoethyl isothiocyanate is C(CBr)N=C=S.
What is the molecular weight of 2-Bromoethyl isothiocyanate?
The molecular weight of 2-Bromoethyl isothiocyanate is 164.92 g/mol.
Where can I buy 2-Bromoethyl isothiocyanate?
You can request a quote for 2-Bromoethyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromoethyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromoethyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.