3-Isothiocyanato-9H-carbazole
TL;DR: 3-Isothiocyanato-9H-carbazole (CAS 91805-00-4) is a chemical compound with molecular formula C13H8N2S and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isothiocyanato-9H-carbazole
Also Known As: 3-Isothiocyanato-9H-carbazole, Carbazole, 3-isothiocyanato-, 3-Isothiocyanato-9H-carbazole #
| Molecular Formula | C13H8N2S |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.04082 |
| Heavy Atoms | 16 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 91805-00-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)N=C=S |
| InChIKey | AWCRWISYIROVGP-UHFFFAOYSA-N |
Product Overview
3-Isothiocyanato-9H-carbazole (CAS 91805-00-4), with molecular formula C13H8N2S and molecular weight 224.04 g/mol. IUPAC: 3-isothiocyanato-9H-carbazole.
Chemical Property Profile of 3-Isothiocyanato-9H-carbazole
Property Insights of 3-Isothiocyanato-9H-carbazole
The XLogP value of 5.1 indicates that 3-Isothiocyanato-9H-carbazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isothiocyanato-9H-carbazole. Following Lipinski's Rule of Five, 3-Isothiocyanato-9H-carbazole has 1 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 3-Isothiocyanato-9H-carbazole?
The CAS number of 3-Isothiocyanato-9H-carbazole is 91805-00-4.
What is the molecular formula of 3-Isothiocyanato-9H-carbazole?
The molecular formula of 3-Isothiocyanato-9H-carbazole is C13H8N2S.
What is the molecular weight of 3-Isothiocyanato-9H-carbazole?
The molecular weight of 3-Isothiocyanato-9H-carbazole is 224.04 g/mol.
Where can I buy 3-Isothiocyanato-9H-carbazole?
You can request a quote for 3-Isothiocyanato-9H-carbazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isothiocyanato-9H-carbazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Isothiocyanato-9H-carbazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.