3-(hydroxy(oxido)amino)-9H-fluoren-9-yl imidothiocarbamate
TL;DR: 3-(hydroxy(oxido)amino)-9H-fluoren-9-yl imidothiocarbamate (CAS 73748-75-1) is a chemical compound with molecular formula C14H11N3O2S and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitro-9H-fluoren-9-yl) carbamimidothioate
Also Known As: NCIStruc1_001943, NCIStruc2_001303, NCI60_001442, (3-nitro-9H-fluoren-9-yl) carbamimidothioate, (3-nitro-9H-fluoren-9-yl) carbamimidothioate;hydrobromide
| Molecular Formula | C14H11N3O2S |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.0572 |
| Heavy Atoms | 20 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 73748-75-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C3=C2C=C(C=C3)[N+](=O)[O-])SC(=N)N |
| InChIKey | FRPGRRFCZNFUPG-UHFFFAOYSA-N |
Product Overview
3-(hydroxy(oxido)amino)-9H-fluoren-9-yl imidothiocarbamate (CAS 73748-75-1), with molecular formula C14H11N3O2S and molecular weight 285.06 g/mol. IUPAC: (3-nitro-9H-fluoren-9-yl) carbamimidothioate.
Chemical Property Profile of 3-(hydroxy(oxido)amino)-9H-fluoren-9-yl imidothiocarbamate
Property Insights of 3-(hydroxy(oxido)amino)-9H-fluoren-9-yl imidothiocarbamate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(hydroxy(oxido)amino)-9H-fluoren-9-yl imidothiocarbamate. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(hydroxy(oxido)amino)-9H-fluoren-9-yl imidothiocarbamate. Following Lipinski's Rule of Five, 3-(hydroxy(oxido)amino)-9H-fluoren-9-yl imidothiocarbamate has 2 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 3-(hydroxy(oxido)amino)-9H-fluoren-9-yl imidothiocarbamate?
The CAS number of 3-(hydroxy(oxido)amino)-9H-fluoren-9-yl imidothiocarbamate is 73748-75-1.
What is the molecular formula of 3-(hydroxy(oxido)amino)-9H-fluoren-9-yl imidothiocarbamate?
The molecular formula of 3-(hydroxy(oxido)amino)-9H-fluoren-9-yl imidothiocarbamate is C14H11N3O2S.
What is the molecular weight of 3-(hydroxy(oxido)amino)-9H-fluoren-9-yl imidothiocarbamate?
The molecular weight of 3-(hydroxy(oxido)amino)-9H-fluoren-9-yl imidothiocarbamate is 285.06 g/mol.
Where can I buy 3-(hydroxy(oxido)amino)-9H-fluoren-9-yl imidothiocarbamate?
You can request a quote for 3-(hydroxy(oxido)amino)-9H-fluoren-9-yl imidothiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(hydroxy(oxido)amino)-9H-fluoren-9-yl imidothiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-(hydroxy(oxido)amino)-9H-fluoren-9-yl imidothiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.