Thiocyanic acid, cis-2-carbamoylvinyl ester
TL;DR: Thiocyanic acid, cis-2-carbamoylvinyl ester (CAS 2807-36-5) is a chemical compound with molecular formula C4H4N2OS and molecular weight 128.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-3-amino-3-oxoprop-1-enyl] thiocyanate
Also Known As: 3-Tetradecene,(3Z), (Z)-3-thiocyanatoacrylamide, Thiocyanic acid, cis-2-carbamoylvinyl ester, [(Z)-3-amino-3-oxoprop-1-enyl] thiocyanate
| Molecular Formula | C4H4N2OS |
|---|---|
| Molecular Weight | 128.00 g/mol |
| LogP | 0.19968 |
| Topological Polar Surface Area | 66.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.00444 |
| Heavy Atoms | 8 |
| Complexity | 146.60753 |
Chemical Identifiers
| CAS Number | 2807-36-5 |
|---|---|
| SMILES | C(=C\SC#N)\C(=O)N |
Product Overview
Thiocyanic acid, cis-2-carbamoylvinyl ester (CAS 2807-36-5), with molecular formula C4H4N2OS and molecular weight 128.00 g/mol. IUPAC: [(Z)-3-amino-3-oxoprop-1-enyl] thiocyanate.
Chemical Property Profile of Thiocyanic acid, cis-2-carbamoylvinyl ester
Property Insights of Thiocyanic acid, cis-2-carbamoylvinyl ester
The XLogP value of 0.19968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, cis-2-carbamoylvinyl ester. The TPSA of 66.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, cis-2-carbamoylvinyl ester. Following Lipinski's Rule of Five, Thiocyanic acid, cis-2-carbamoylvinyl ester has 1 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 Thiocyanic acid, cis-2-carbamoylvinyl ester?
The CAS number of Thiocyanic acid, cis-2-carbamoylvinyl ester is 2807-36-5.
What is the molecular formula of Thiocyanic acid, cis-2-carbamoylvinyl ester?
The molecular formula of Thiocyanic acid, cis-2-carbamoylvinyl ester is C4H4N2OS.
What is the molecular weight of Thiocyanic acid, cis-2-carbamoylvinyl ester?
The molecular weight of Thiocyanic acid, cis-2-carbamoylvinyl ester is 128.00 g/mol.
Where can I buy Thiocyanic acid, cis-2-carbamoylvinyl ester?
You can request a quote for Thiocyanic acid, cis-2-carbamoylvinyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, cis-2-carbamoylvinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, cis-2-carbamoylvinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.