6-Chrysenyl isothiocyanate
TL;DR: 6-Chrysenyl isothiocyanate (CAS 94255-53-5) is a chemical compound with molecular formula C19H11NS and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-isothiocyanatochrysene
Also Known As: 6-isothiocyanatochrysene, Chrysylsenfoel, 6-Chrysenyl isothiocyanate, 6-Chrysenylisothiocyanate, ISOTHIOCYANATOCHRYSENE, 6-
| Molecular Formula | C19H11NS |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.06122 |
| Heavy Atoms | 21 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 94255-53-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)N=C=S |
| InChIKey | CIAHPHFXCYGAPB-UHFFFAOYSA-N |
Product Overview
6-Chrysenyl isothiocyanate (CAS 94255-53-5), with molecular formula C19H11NS and molecular weight 285.06 g/mol. IUPAC: 6-isothiocyanatochrysene.
Chemical Property Profile of 6-Chrysenyl isothiocyanate
Property Insights of 6-Chrysenyl isothiocyanate
The XLogP value of 7.1 indicates that 6-Chrysenyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, 6-Chrysenyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chrysenyl isothiocyanate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Chrysenyl isothiocyanate?
The CAS number of 6-Chrysenyl isothiocyanate is 94255-53-5.
What is the molecular formula of 6-Chrysenyl isothiocyanate?
The molecular formula of 6-Chrysenyl isothiocyanate is C19H11NS.
What is the molecular weight of 6-Chrysenyl isothiocyanate?
The molecular weight of 6-Chrysenyl isothiocyanate is 285.06 g/mol.
Where can I buy 6-Chrysenyl isothiocyanate?
You can request a quote for 6-Chrysenyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chrysenyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 6-Chrysenyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.