2-Propenenitrile, 3,3-bis(methylthio)-
TL;DR: 2-Propenenitrile, 3,3-bis(methylthio)- (CAS 51245-80-8) is a chemical compound with molecular formula C5H7NS2 and molecular weight 145.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(methylsulfanyl)prop-2-enenitrile
Also Known As: 3,3-bis(methylthio)acrylonitrile, 3,3-bis(methylsulfanyl)prop-2-enenitrile, 2-Propenenitrile, 3,3-bis(methylthio)-, HFVCCDWVYQHTNK-UHFFFAOYSA-, Dimethylmercapto-cyanoacrylonitrile
| Molecular Formula | C5H7NS2 |
|---|---|
| Molecular Weight | 145.00 g/mol |
| LogP | 2.07738 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 145.002 |
| Heavy Atoms | 8 |
| Complexity | 116.880585 |
Chemical Identifiers
| CAS Number | 51245-80-8 |
|---|---|
| SMILES | CSC(=CC#N)SC |
Product Overview
2-Propenenitrile, 3,3-bis(methylthio)- (CAS 51245-80-8), with molecular formula C5H7NS2 and molecular weight 145.00 g/mol. IUPAC: 3,3-bis(methylsulfanyl)prop-2-enenitrile.
Chemical Property Profile of 2-Propenenitrile, 3,3-bis(methylthio)-
Property Insights of 2-Propenenitrile, 3,3-bis(methylthio)-
The XLogP value of 2.07738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenenitrile, 3,3-bis(methylthio)-. With a topological polar surface area (TPSA) of 23.79 Ų, 2-Propenenitrile, 3,3-bis(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenenitrile, 3,3-bis(methylthio)- has 0 hydrogen bond donor(s) and 3 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, 3,3-bis(methylthio)-?
The CAS number of 2-Propenenitrile, 3,3-bis(methylthio)- is 51245-80-8.
What is the molecular formula of 2-Propenenitrile, 3,3-bis(methylthio)-?
The molecular formula of 2-Propenenitrile, 3,3-bis(methylthio)- is C5H7NS2.
What is the molecular weight of 2-Propenenitrile, 3,3-bis(methylthio)-?
The molecular weight of 2-Propenenitrile, 3,3-bis(methylthio)- is 145.00 g/mol.
Where can I buy 2-Propenenitrile, 3,3-bis(methylthio)-?
You can request a quote for 2-Propenenitrile, 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, 3,3-bis(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenenitrile, 3,3-bis(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.