(S)-(+)-1-(4-Bromophenyl)Ethyl Isothiocyanate
TL;DR: (S)-(+)-1-(4-Bromophenyl)Ethyl Isothiocyanate (CAS 745784-02-5) is a chemical compound with molecular formula C9H8BrNS and molecular weight 240.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-[(1S)-1-isothiocyanatoethyl]benzene
Also Known As: (S)-(+)-1-(4-Bromophenyl)Ethyl Isothiocyanate, 1-BROMO-4-[(1S)-1-ISOTHIOCYANATOETHYL]BENZENE, (S)-(-)-1-(4-BROMOPHENYL)ETHYLISOTHIOCYANATE, (S)-(+)-1-(4-BROMOPHENYL)ETHYL ISOTHIOCYANATE, 97%
| Molecular Formula | C9H8BrNS |
|---|---|
| Molecular Weight | 240.96 g/mol |
| LogP | 3.6129 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.95609 |
| Heavy Atoms | 12 |
| Complexity | 300.8095 |
Chemical Identifiers
| CAS Number | 745784-02-5 |
|---|---|
| SMILES | C[C@@H](C1=CC=C(C=C1)Br)N=C=S |
Product Overview
(S)-(+)-1-(4-Bromophenyl)Ethyl Isothiocyanate (CAS 745784-02-5), with molecular formula C9H8BrNS and molecular weight 240.96 g/mol. IUPAC: 1-bromo-4-[(1S)-1-isothiocyanatoethyl]benzene.
Chemical Property Profile of (S)-(+)-1-(4-Bromophenyl)Ethyl Isothiocyanate
Property Insights of (S)-(+)-1-(4-Bromophenyl)Ethyl Isothiocyanate
The XLogP value of 3.6129 indicates that (S)-(+)-1-(4-Bromophenyl)Ethyl Isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, (S)-(+)-1-(4-Bromophenyl)Ethyl Isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-(+)-1-(4-Bromophenyl)Ethyl 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 (S)-(+)-1-(4-Bromophenyl)Ethyl Isothiocyanate?
The CAS number of (S)-(+)-1-(4-Bromophenyl)Ethyl Isothiocyanate is 745784-02-5.
What is the molecular formula of (S)-(+)-1-(4-Bromophenyl)Ethyl Isothiocyanate?
The molecular formula of (S)-(+)-1-(4-Bromophenyl)Ethyl Isothiocyanate is C9H8BrNS.
What is the molecular weight of (S)-(+)-1-(4-Bromophenyl)Ethyl Isothiocyanate?
The molecular weight of (S)-(+)-1-(4-Bromophenyl)Ethyl Isothiocyanate is 240.96 g/mol.
Where can I buy (S)-(+)-1-(4-Bromophenyl)Ethyl Isothiocyanate?
You can request a quote for (S)-(+)-1-(4-Bromophenyl)Ethyl Isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-(+)-1-(4-Bromophenyl)Ethyl Isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (S)-(+)-1-(4-Bromophenyl)Ethyl Isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.