(R)-(-)-1-(4-Chlorophenyl)ethyl isothiocyanate
TL;DR: (R)-(-)-1-(4-Chlorophenyl)ethyl isothiocyanate (CAS 737000-80-5) is a chemical compound with molecular formula C9H8ClNS and molecular weight 197.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-[(1R)-1-isothiocyanatoethyl]benzene
Also Known As: (R)-(-)-1-(4-CHLOROPHENYL)ETHYL ISOTHIOCYANATE, 1-chloro-4-[(1R)-1-isothiocyanatoethyl]benzene
| Molecular Formula | C9H8ClNS |
|---|---|
| Molecular Weight | 197.01 g/mol |
| LogP | 3.5038 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.00659 |
| Heavy Atoms | 12 |
| Complexity | 300.8095 |
Chemical Identifiers
| CAS Number | 737000-80-5 |
|---|---|
| SMILES | C[C@H](C1=CC=C(C=C1)Cl)N=C=S |
Product Overview
(R)-(-)-1-(4-Chlorophenyl)ethyl isothiocyanate (CAS 737000-80-5), with molecular formula C9H8ClNS and molecular weight 197.01 g/mol. IUPAC: 1-chloro-4-[(1R)-1-isothiocyanatoethyl]benzene.
Chemical Property Profile of (R)-(-)-1-(4-Chlorophenyl)ethyl isothiocyanate
Property Insights of (R)-(-)-1-(4-Chlorophenyl)ethyl isothiocyanate
The XLogP value of 3.5038 indicates that (R)-(-)-1-(4-Chlorophenyl)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, (R)-(-)-1-(4-Chlorophenyl)ethyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (R)-(-)-1-(4-Chlorophenyl)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 (R)-(-)-1-(4-Chlorophenyl)ethyl isothiocyanate?
The CAS number of (R)-(-)-1-(4-Chlorophenyl)ethyl isothiocyanate is 737000-80-5.
What is the molecular formula of (R)-(-)-1-(4-Chlorophenyl)ethyl isothiocyanate?
The molecular formula of (R)-(-)-1-(4-Chlorophenyl)ethyl isothiocyanate is C9H8ClNS.
What is the molecular weight of (R)-(-)-1-(4-Chlorophenyl)ethyl isothiocyanate?
The molecular weight of (R)-(-)-1-(4-Chlorophenyl)ethyl isothiocyanate is 197.01 g/mol.
Where can I buy (R)-(-)-1-(4-Chlorophenyl)ethyl isothiocyanate?
You can request a quote for (R)-(-)-1-(4-Chlorophenyl)ethyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-(-)-1-(4-Chlorophenyl)ethyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (R)-(-)-1-(4-Chlorophenyl)ethyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.