![2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3,3-bis(methylthio)- structure](/static/products/7018/70186-54-8.webp)
2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3,3-bis(methylthio)-
TL;DR: 2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3,3-bis(methylthio)- (CAS 70186-54-8) is a chemical compound with molecular formula C12H13NO2S3 and molecular weight 299.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonyl-3,3-bis(methylsulfanyl)prop-2-enenitrile
Also Known As: 2-Tosyl-3,3-bis(methylthio)acrylonitrile, 3,3-bis(methylsulfanyl)-2-tosylacrylonitrile, 3,3-Bis(methylthio)-2-tosylacrylonitrile, J1.971.318K, 2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3,3-bis(methylthio)-
| Molecular Formula | C12H13NO2S3 |
|---|---|
| Molecular Weight | 299.01 g/mol |
| LogP | 3.1874 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.01083 |
| Heavy Atoms | 18 |
| Complexity | 589.20483 |
Chemical Identifiers
| CAS Number | 70186-54-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=C(SC)SC)C#N |
Product Overview
2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3,3-bis(methylthio)- (CAS 70186-54-8), with molecular formula C12H13NO2S3 and molecular weight 299.01 g/mol. IUPAC: 2-(4-methylphenyl)sulfonyl-3,3-bis(methylsulfanyl)prop-2-enenitrile.
Chemical Property Profile of 2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3,3-bis(methylthio)-
Property Insights of 2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3,3-bis(methylthio)-
The XLogP value of 3.1874 indicates that 2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3,3-bis(methylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.93 Ų, 2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3,3-bis(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3,3-bis(methylthio)- 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 2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3,3-bis(methylthio)-?
The CAS number of 2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3,3-bis(methylthio)- is 70186-54-8.
What is the molecular formula of 2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3,3-bis(methylthio)-?
The molecular formula of 2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3,3-bis(methylthio)- is C12H13NO2S3.
What is the molecular weight of 2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3,3-bis(methylthio)-?
The molecular weight of 2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3,3-bis(methylthio)- is 299.01 g/mol.
Where can I buy 2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3,3-bis(methylthio)-?
You can request a quote for 2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3,3-bis(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3,3-bis(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenenitrile, 2-[(4-methylphenyl)sulfonyl]-3,3-bis(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.