![3-[2-(Benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile structure](/static/products/4780/478032-50-7.webp)
3-[2-(Benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile
TL;DR: 3-[2-(Benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile (CAS 478032-50-7) is a chemical compound with molecular formula C13H10N2O4S3 and molecular weight 353.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile
Also Known As: Bionet1_003517, (Z)-2-(methylsulfonyl)-3-[2-(phenylsulfonyl)-1,3-thiazol-5-yl]-2-propenenitrile, 3-[2-(benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile
| Molecular Formula | C13H10N2O4S3 |
|---|---|
| Molecular Weight | 353.98 g/mol |
| LogP | 1.88498 |
| Topological Polar Surface Area | 104.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.98026 |
| Heavy Atoms | 22 |
| Complexity | 965.7926 |
Chemical Identifiers
| CAS Number | 478032-50-7 |
|---|---|
| SMILES | CS(=O)(=O)C(=CC1=CN=C(S1)S(=O)(=O)C2=CC=CC=C2)C#N |
Product Overview
3-[2-(Benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile (CAS 478032-50-7), with molecular formula C13H10N2O4S3 and molecular weight 353.98 g/mol. IUPAC: 3-[2-(benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile.
Chemical Property Profile of 3-[2-(Benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile
Property Insights of 3-[2-(Benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile
The XLogP value of 1.88498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(Benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile. The TPSA of 104.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(Benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile. Following Lipinski's Rule of Five, 3-[2-(Benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile has 0 hydrogen bond donor(s) and 7 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-[2-(Benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile?
The CAS number of 3-[2-(Benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile is 478032-50-7.
What is the molecular formula of 3-[2-(Benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile?
The molecular formula of 3-[2-(Benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile is C13H10N2O4S3.
What is the molecular weight of 3-[2-(Benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile?
The molecular weight of 3-[2-(Benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile is 353.98 g/mol.
Where can I buy 3-[2-(Benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile?
You can request a quote for 3-[2-(Benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(Benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(Benzenesulfonyl)-1,3-thiazol-5-yl]-2-methylsulfonylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.