Thiophene-2-sulfonylacetonitrile
TL;DR: Thiophene-2-sulfonylacetonitrile (CAS 175137-62-9) is a chemical compound with molecular formula C6H5NO2S2 and molecular weight 186.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-thiophen-2-ylsulfonylacetonitrile
Also Known As: Thiophene-2-sulfonylacetonitrile, 2-(Thiophen-2-ylsulfonyl)acetonitrile, 2-thiophen-2-ylsulfonylacetonitrile, Maybridge1_004710, 2-(thiophene-2-sulfonyl)acetonitrile
| Molecular Formula | C6H5NO2S2 |
|---|---|
| Molecular Weight | 186.98 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.97617 |
| Heavy Atoms | 11 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 175137-62-9 |
|---|---|
| SMILES | C1=CSC(=C1)S(=O)(=O)CC#N |
| InChIKey | JWLFPYPXODBUFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiophene-2-sulfonylacetonitrile (CAS 175137-62-9), with molecular formula C6H5NO2S2 and molecular weight 186.98 g/mol. IUPAC: 2-thiophen-2-ylsulfonylacetonitrile.
Chemical Property Profile of Thiophene-2-sulfonylacetonitrile
Property Insights of Thiophene-2-sulfonylacetonitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiophene-2-sulfonylacetonitrile. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiophene-2-sulfonylacetonitrile. Following Lipinski's Rule of Five, Thiophene-2-sulfonylacetonitrile 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 Thiophene-2-sulfonylacetonitrile?
The CAS number of Thiophene-2-sulfonylacetonitrile is 175137-62-9.
What is the molecular formula of Thiophene-2-sulfonylacetonitrile?
The molecular formula of Thiophene-2-sulfonylacetonitrile is C6H5NO2S2.
What is the molecular weight of Thiophene-2-sulfonylacetonitrile?
The molecular weight of Thiophene-2-sulfonylacetonitrile is 186.98 g/mol.
Where can I buy Thiophene-2-sulfonylacetonitrile?
You can request a quote for Thiophene-2-sulfonylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiophene-2-sulfonylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Thiophene-2-sulfonylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.