Methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate
TL;DR: Methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate (CAS 78160-01-7) is a chemical compound with molecular formula C5H6N2O2S and molecular weight 158.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate
Also Known As: methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate, Methyl 3-amino-2-cyano-3-sulfanyl-prop-2-enoate, 2-Propenoic acid, 3-amino-2-cyano-3-mercapto-, methyl ester
| Molecular Formula | C5H6N2O2S |
|---|---|
| Molecular Weight | 158.01 g/mol |
| LogP | -0.21692 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.015 |
| Heavy Atoms | 10 |
| Complexity | 212.17807 |
Chemical Identifiers
| CAS Number | 78160-01-7 |
|---|---|
| SMILES | COC(=O)C(=C(N)S)C#N |
Product Overview
Methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate (CAS 78160-01-7), with molecular formula C5H6N2O2S and molecular weight 158.01 g/mol. IUPAC: methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate.
Chemical Property Profile of Methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate
Property Insights of Methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate
The XLogP value of -0.21692 indicates that Methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate. Following Lipinski's Rule of Five, Methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate has 2 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 Methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate?
The CAS number of Methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate is 78160-01-7.
What is the molecular formula of Methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate?
The molecular formula of Methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate is C5H6N2O2S.
What is the molecular weight of Methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate?
The molecular weight of Methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate is 158.01 g/mol.
Where can I buy Methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate?
You can request a quote for Methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-2-cyano-3-sulfanylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.