3-(Benzenesulfonylmethyl)-2-nitrothiophene
TL;DR: 3-(Benzenesulfonylmethyl)-2-nitrothiophene (CAS 93418-92-9) is a chemical compound with molecular formula C11H9NO4S2 and molecular weight 283.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonylmethyl)-2-nitrothiophene
Also Known As: Maybridge1_002141, 3-(benzenesulfonylmethyl)-2-nitrothiophene, (2-nitro-3-thienyl)methyl phenyl sulfone, 2-nitro-3-[(phenylsulfonyl)methyl]thiophene, 3-[(benzenesulfonyl)methyl]-2-nitrothiophene
| Molecular Formula | C11H9NO4S2 |
|---|---|
| Molecular Weight | 283.00 g/mol |
| LogP | 2.6302 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.9973 |
| Heavy Atoms | 18 |
| Complexity | 661.36145 |
Chemical Identifiers
| CAS Number | 93418-92-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC2=C(SC=C2)[N+](=O)[O-] |
Product Overview
3-(Benzenesulfonylmethyl)-2-nitrothiophene (CAS 93418-92-9), with molecular formula C11H9NO4S2 and molecular weight 283.00 g/mol. IUPAC: 3-(benzenesulfonylmethyl)-2-nitrothiophene.
Chemical Property Profile of 3-(Benzenesulfonylmethyl)-2-nitrothiophene
Property Insights of 3-(Benzenesulfonylmethyl)-2-nitrothiophene
The XLogP value of 2.6302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzenesulfonylmethyl)-2-nitrothiophene. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Benzenesulfonylmethyl)-2-nitrothiophene. Following Lipinski's Rule of Five, 3-(Benzenesulfonylmethyl)-2-nitrothiophene has 0 hydrogen bond donor(s) and 5 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-(Benzenesulfonylmethyl)-2-nitrothiophene?
The CAS number of 3-(Benzenesulfonylmethyl)-2-nitrothiophene is 93418-92-9.
What is the molecular formula of 3-(Benzenesulfonylmethyl)-2-nitrothiophene?
The molecular formula of 3-(Benzenesulfonylmethyl)-2-nitrothiophene is C11H9NO4S2.
What is the molecular weight of 3-(Benzenesulfonylmethyl)-2-nitrothiophene?
The molecular weight of 3-(Benzenesulfonylmethyl)-2-nitrothiophene is 283.00 g/mol.
Where can I buy 3-(Benzenesulfonylmethyl)-2-nitrothiophene?
You can request a quote for 3-(Benzenesulfonylmethyl)-2-nitrothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzenesulfonylmethyl)-2-nitrothiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzenesulfonylmethyl)-2-nitrothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.