(R)-(+)-1-Phenylpropyl Isothiocyanate
TL;DR: (R)-(+)-1-Phenylpropyl Isothiocyanate (CAS 745784-00-3) is a chemical compound with molecular formula C10H11NS and molecular weight 177.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R)-1-isothiocyanatopropyl]benzene
Also Known As: (R)-(+)-1-Phenylpropyl Isothiocyanate, [(1R)-1-ISOTHIOCYANATOPROPYL]BENZENE, (1R)-1-phenylpropanisothiocyanate, (R)-(1-isothiocyanatopropyl)benzene, (R)-(+)-1-PHENYLPROPYLISOTHIOCYANATE
| Molecular Formula | C10H11NS |
|---|---|
| Molecular Weight | 177.06 g/mol |
| LogP | 3.2405 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.06122 |
| Heavy Atoms | 12 |
| Complexity | 275.14987 |
Chemical Identifiers
| CAS Number | 745784-00-3 |
|---|---|
| SMILES | CC[C@H](C1=CC=CC=C1)N=C=S |
Product Overview
(R)-(+)-1-Phenylpropyl Isothiocyanate (CAS 745784-00-3), with molecular formula C10H11NS and molecular weight 177.06 g/mol. IUPAC: [(1R)-1-isothiocyanatopropyl]benzene.
Chemical Property Profile of (R)-(+)-1-Phenylpropyl Isothiocyanate
Property Insights of (R)-(+)-1-Phenylpropyl Isothiocyanate
The XLogP value of 3.2405 indicates that (R)-(+)-1-Phenylpropyl 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-Phenylpropyl Isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (R)-(+)-1-Phenylpropyl 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-Phenylpropyl Isothiocyanate?
The CAS number of (R)-(+)-1-Phenylpropyl Isothiocyanate is 745784-00-3.
What is the molecular formula of (R)-(+)-1-Phenylpropyl Isothiocyanate?
The molecular formula of (R)-(+)-1-Phenylpropyl Isothiocyanate is C10H11NS.
What is the molecular weight of (R)-(+)-1-Phenylpropyl Isothiocyanate?
The molecular weight of (R)-(+)-1-Phenylpropyl Isothiocyanate is 177.06 g/mol.
Where can I buy (R)-(+)-1-Phenylpropyl Isothiocyanate?
You can request a quote for (R)-(+)-1-Phenylpropyl 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-Phenylpropyl Isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (R)-(+)-1-Phenylpropyl Isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.