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2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one
TL;DR: 2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one (CAS 73264-28-5) is a chemical compound with molecular formula C8H7NO3S and molecular weight 197.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-6,7-dihydro-5H-1-benzothiophen-4-one
Also Known As: 2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one, 2-Nitro-4,5,6,7-tetrahydro-1-benzothiophen-4-one, 2-nitro-6,7-dihydro-5H-1-benzothiophen-4-one, 6,7-dihydro-2-nitrobenzo[b]thiophen-4(5h)-one, 2-nitro-6, 7-dihydrobenzo[b]thiophen-4(5H)-one
| Molecular Formula | C8H7NO3S |
|---|---|
| Molecular Weight | 197.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.01466 |
| Heavy Atoms | 13 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 73264-28-5 |
|---|---|
| SMILES | C1CC2=C(C=C(S2)[N+](=O)[O-])C(=O)C1 |
| InChIKey | YDAOTLYGTWGWNT-UHFFFAOYSA-N |
Product Overview
2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one (CAS 73264-28-5), with molecular formula C8H7NO3S and molecular weight 197.01 g/mol. IUPAC: 2-nitro-6,7-dihydro-5H-1-benzothiophen-4-one.
Chemical Property Profile of 2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one
Property Insights of 2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one. Following Lipinski's Rule of Five, 2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one has 0 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 2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one?
The CAS number of 2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one is 73264-28-5.
What is the molecular formula of 2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one?
The molecular formula of 2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one is C8H7NO3S.
What is the molecular weight of 2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one?
The molecular weight of 2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one is 197.01 g/mol.
Where can I buy 2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one?
You can request a quote for 2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.