(S)-(+)-2-Hexyl isothiocyanate
TL;DR: (S)-(+)-2-Hexyl isothiocyanate (CAS 737000-96-3) is a chemical compound with molecular formula C7H13NS and molecular weight 143.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-isothiocyanatohexane
Also Known As: (S)-(+)-2-HEXYL ISOTHIOCYANATE, (2S)-2-ISOTHIOCYANATOHEXANE, 2-Hexyl isothiocyanate, - -2-HEXYLISOTHIOCYANATE, (S)-(+)-2-HEXYL ISOTHIOCYANATE, 95%
| Molecular Formula | C7H13NS |
|---|---|
| Molecular Weight | 143.08 g/mol |
| LogP | 2.6679 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 143.07687 |
| Heavy Atoms | 9 |
| Complexity | 105.48378 |
Chemical Identifiers
| CAS Number | 737000-96-3 |
|---|---|
| SMILES | CCCC[C@H](C)N=C=S |
Product Overview
(S)-(+)-2-Hexyl isothiocyanate (CAS 737000-96-3), with molecular formula C7H13NS and molecular weight 143.08 g/mol. IUPAC: (2S)-2-isothiocyanatohexane.
Chemical Property Profile of (S)-(+)-2-Hexyl isothiocyanate
Property Insights of (S)-(+)-2-Hexyl isothiocyanate
The XLogP value of 2.6679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-(+)-2-Hexyl isothiocyanate. With a topological polar surface area (TPSA) of 12.36 Ų, (S)-(+)-2-Hexyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-(+)-2-Hexyl 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)-(+)-2-Hexyl isothiocyanate?
The CAS number of (S)-(+)-2-Hexyl isothiocyanate is 737000-96-3.
What is the molecular formula of (S)-(+)-2-Hexyl isothiocyanate?
The molecular formula of (S)-(+)-2-Hexyl isothiocyanate is C7H13NS.
What is the molecular weight of (S)-(+)-2-Hexyl isothiocyanate?
The molecular weight of (S)-(+)-2-Hexyl isothiocyanate is 143.08 g/mol.
Where can I buy (S)-(+)-2-Hexyl isothiocyanate?
You can request a quote for (S)-(+)-2-Hexyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-(+)-2-Hexyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (S)-(+)-2-Hexyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.