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Benzo[b]thiophen-2(3H)-one, 3-diazo-
TL;DR: Benzo[b]thiophen-2(3H)-one, 3-diazo- (CAS 54518-09-1) is a chemical compound with molecular formula C8H4N2OS and molecular weight 176.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-diazonio-1-benzothiophen-2-olate
Also Known As: 3-Diazobenzo[b]thiophen-2(3H)-one, Benzo[b]thiophen-2(3H)-one, 3-diazo-, 3-Diazobenzo[b]thiophen-2 -one, 3-diazonio-1-benzothiophen-2-olate, 3-diaz o-2-oxo-2,3-dihydrobenzo[b]thiophene
| Molecular Formula | C8H4N2OS |
|---|---|
| Molecular Weight | 176.00 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.00444 |
| Heavy Atoms | 12 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 54518-09-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)[O-])[N+]#N |
| InChIKey | FPXZATKGNUEVBN-UHFFFAOYSA-N |
Product Overview
Benzo[b]thiophen-2(3H)-one, 3-diazo- (CAS 54518-09-1), with molecular formula C8H4N2OS and molecular weight 176.00 g/mol. IUPAC: 3-diazonio-1-benzothiophen-2-olate.
Chemical Property Profile of Benzo[b]thiophen-2(3H)-one, 3-diazo-
Property Insights of Benzo[b]thiophen-2(3H)-one, 3-diazo-
The XLogP value of 4.2 indicates that Benzo[b]thiophen-2(3H)-one, 3-diazo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo[b]thiophen-2(3H)-one, 3-diazo-. Following Lipinski's Rule of Five, Benzo[b]thiophen-2(3H)-one, 3-diazo- has 0 hydrogen bond donor(s) and 3 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 Benzo[b]thiophen-2(3H)-one, 3-diazo-?
The CAS number of Benzo[b]thiophen-2(3H)-one, 3-diazo- is 54518-09-1.
What is the molecular formula of Benzo[b]thiophen-2(3H)-one, 3-diazo-?
The molecular formula of Benzo[b]thiophen-2(3H)-one, 3-diazo- is C8H4N2OS.
What is the molecular weight of Benzo[b]thiophen-2(3H)-one, 3-diazo-?
The molecular weight of Benzo[b]thiophen-2(3H)-one, 3-diazo- is 176.00 g/mol.
Where can I buy Benzo[b]thiophen-2(3H)-one, 3-diazo-?
You can request a quote for Benzo[b]thiophen-2(3H)-one, 3-diazo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[b]thiophen-2(3H)-one, 3-diazo-?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophen-2(3H)-one, 3-diazo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.