2-Mercaptoacrylonitrile
TL;DR: 2-Mercaptoacrylonitrile (CAS 76934-14-0) is a chemical compound with molecular formula C3H3NS and molecular weight 85.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylprop-2-enenitrile
Also Known As: cyanoethenethiol, 2-Mercaptoacrylonitrile, 2-sulfanylprop-2-enenitrile, 2-Mercaptopropenenitrile, 2-Propenenitrile, 2-mercapto-
| Molecular Formula | C3H3NS |
|---|---|
| Molecular Weight | 85.00 g/mol |
| LogP | 0.95348 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 84.99862 |
| Heavy Atoms | 5 |
| Complexity | 79.38408 |
Chemical Identifiers
| CAS Number | 76934-14-0 |
|---|---|
| SMILES | C=C(C#N)S |
Product Overview
2-Mercaptoacrylonitrile (CAS 76934-14-0), with molecular formula C3H3NS and molecular weight 85.00 g/mol. IUPAC: 2-sulfanylprop-2-enenitrile.
Chemical Property Profile of 2-Mercaptoacrylonitrile
Property Insights of 2-Mercaptoacrylonitrile
The XLogP value of 0.95348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercaptoacrylonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 2-Mercaptoacrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercaptoacrylonitrile has 1 hydrogen bond donor(s) and 2 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-Mercaptoacrylonitrile?
The CAS number of 2-Mercaptoacrylonitrile is 76934-14-0.
What is the molecular formula of 2-Mercaptoacrylonitrile?
The molecular formula of 2-Mercaptoacrylonitrile is C3H3NS.
What is the molecular weight of 2-Mercaptoacrylonitrile?
The molecular weight of 2-Mercaptoacrylonitrile is 85.00 g/mol.
Where can I buy 2-Mercaptoacrylonitrile?
You can request a quote for 2-Mercaptoacrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercaptoacrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercaptoacrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.