(2R)-2-isothiocyanatooctane
TL;DR: (2R)-2-isothiocyanatooctane (CAS 69626-80-8) is a chemical compound with molecular formula C9H17NS and molecular weight 171.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-isothiocyanatooctane
Also Known As: 2-Octylisothiocyanate, (2R)-2-isothiocyanatooctane, 2-Octyl isothiocyanate, Octane,2-isothiocyanato-, (-)-, (R)-(-)-2-OCTYL ISOTHIOCYANATE
| Molecular Formula | C9H17NS |
|---|---|
| Molecular Weight | 171.11 g/mol |
| LogP | 3.4481 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 171.10817 |
| Heavy Atoms | 11 |
| Complexity | 127.52442 |
Chemical Identifiers
| CAS Number | 69626-80-8 |
|---|---|
| SMILES | CCCCCC[C@@H](C)N=C=S |
Product Overview
(2R)-2-isothiocyanatooctane (CAS 69626-80-8), with molecular formula C9H17NS and molecular weight 171.11 g/mol. IUPAC: (2R)-2-isothiocyanatooctane.
Chemical Property Profile of (2R)-2-isothiocyanatooctane
Property Insights of (2R)-2-isothiocyanatooctane
The XLogP value of 3.4481 indicates that (2R)-2-isothiocyanatooctane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, (2R)-2-isothiocyanatooctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2R)-2-isothiocyanatooctane 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 (2R)-2-isothiocyanatooctane?
The CAS number of (2R)-2-isothiocyanatooctane is 69626-80-8.
What is the molecular formula of (2R)-2-isothiocyanatooctane?
The molecular formula of (2R)-2-isothiocyanatooctane is C9H17NS.
What is the molecular weight of (2R)-2-isothiocyanatooctane?
The molecular weight of (2R)-2-isothiocyanatooctane is 171.11 g/mol.
Where can I buy (2R)-2-isothiocyanatooctane?
You can request a quote for (2R)-2-isothiocyanatooctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R)-2-isothiocyanatooctane?
Yes, KEHONG BIO provides custom synthesis services for (2R)-2-isothiocyanatooctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.