Thiocyanic acid carbazol-3,6-diyl ester
TL;DR: Thiocyanic acid carbazol-3,6-diyl ester (CAS 40736-18-3) is a chemical compound with molecular formula C14H7N3S2 and molecular weight 281.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-thiocyanato-9H-carbazol-3-yl) thiocyanate
Also Known As: 3,6-dithiocyanatocarbazole, 3,6-Dithiocyanato-9H-carbazole, Thiocyanicacidcarbazol-3,6-diylester, Thiocyanic acid carbazol-3,6-diyl ester, (6-thiocyanato-9H-carbazol-3-yl) thiocyanate
| Molecular Formula | C14H7N3S2 |
|---|---|
| Molecular Weight | 281.01 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.00815 |
| Heavy Atoms | 19 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 40736-18-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1SC#N)C3=C(N2)C=CC(=C3)SC#N |
| InChIKey | FZZLCZSIEMZXEL-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid carbazol-3,6-diyl ester (CAS 40736-18-3), with molecular formula C14H7N3S2 and molecular weight 281.01 g/mol. IUPAC: (6-thiocyanato-9H-carbazol-3-yl) thiocyanate.
Chemical Property Profile of Thiocyanic acid carbazol-3,6-diyl ester
Property Insights of Thiocyanic acid carbazol-3,6-diyl ester
The XLogP value of 4.5 indicates that Thiocyanic acid carbazol-3,6-diyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid carbazol-3,6-diyl ester. Following Lipinski's Rule of Five, Thiocyanic acid carbazol-3,6-diyl ester has 1 hydrogen bond donor(s) and 4 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 Thiocyanic acid carbazol-3,6-diyl ester?
The CAS number of Thiocyanic acid carbazol-3,6-diyl ester is 40736-18-3.
What is the molecular formula of Thiocyanic acid carbazol-3,6-diyl ester?
The molecular formula of Thiocyanic acid carbazol-3,6-diyl ester is C14H7N3S2.
What is the molecular weight of Thiocyanic acid carbazol-3,6-diyl ester?
The molecular weight of Thiocyanic acid carbazol-3,6-diyl ester is 281.01 g/mol.
Where can I buy Thiocyanic acid carbazol-3,6-diyl ester?
You can request a quote for Thiocyanic acid carbazol-3,6-diyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid carbazol-3,6-diyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid carbazol-3,6-diyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.