(S)-(+)-1-Indanyl isothiocyanate
TL;DR: (S)-(+)-1-Indanyl isothiocyanate (CAS 737000-84-9) is a chemical compound with molecular formula C10H9NS and molecular weight 175.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-1-isothiocyanato-2,3-dihydro-1H-indene
Also Known As: (S)-(+)-1-Indanyl isothiocyanate, (1S)-1-ISOTHIOCYANATO-2,3-DIHYDRO-1H-INDENE, (S)-1-isothiocyanato-2,3-dihydro-1H-indene
| Molecular Formula | C10H9NS |
|---|---|
| Molecular Weight | 175.05 g/mol |
| LogP | 2.7767 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.04558 |
| Heavy Atoms | 12 |
| Complexity | 339.44675 |
Chemical Identifiers
| CAS Number | 737000-84-9 |
|---|---|
| SMILES | C1CC2=CC=CC=C2[C@H]1N=C=S |
Product Overview
(S)-(+)-1-Indanyl isothiocyanate (CAS 737000-84-9), with molecular formula C10H9NS and molecular weight 175.05 g/mol. IUPAC: (1S)-1-isothiocyanato-2,3-dihydro-1H-indene.
Chemical Property Profile of (S)-(+)-1-Indanyl isothiocyanate
Property Insights of (S)-(+)-1-Indanyl isothiocyanate
The XLogP value of 2.7767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-(+)-1-Indanyl isothiocyanate. With a topological polar surface area (TPSA) of 12.36 Ų, (S)-(+)-1-Indanyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-(+)-1-Indanyl 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-Indanyl isothiocyanate?
The CAS number of (S)-(+)-1-Indanyl isothiocyanate is 737000-84-9.
What is the molecular formula of (S)-(+)-1-Indanyl isothiocyanate?
The molecular formula of (S)-(+)-1-Indanyl isothiocyanate is C10H9NS.
What is the molecular weight of (S)-(+)-1-Indanyl isothiocyanate?
The molecular weight of (S)-(+)-1-Indanyl isothiocyanate is 175.05 g/mol.
Where can I buy (S)-(+)-1-Indanyl isothiocyanate?
You can request a quote for (S)-(+)-1-Indanyl 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-Indanyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (S)-(+)-1-Indanyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.