Thiocyanic acid, maleimido-methyl ester
TL;DR: Thiocyanic acid, maleimido-methyl ester (CAS 104356-19-6) is a chemical compound with molecular formula C6H4N2O2S and molecular weight 168.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dioxopyrrol-1-yl)methyl thiocyanate
Also Known As: N-thiocyanatomethyl-maleimide, N-(Cyanothiomethyl)maleimide, Thiocyanic acid, maleimido-methyl ester, (2,5-dioxopyrrol-1-yl)methyl thiocyanate, (2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)methyl thiocyanate
| Molecular Formula | C6H4N2O2S |
|---|---|
| Molecular Weight | 168.00 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 86.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.99934 |
| Heavy Atoms | 11 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 104356-19-6 |
|---|---|
| SMILES | C1=CC(=O)N(C1=O)CSC#N |
| InChIKey | BQMAGTFGHBJXRV-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, maleimido-methyl ester (CAS 104356-19-6), with molecular formula C6H4N2O2S and molecular weight 168.00 g/mol. IUPAC: (2,5-dioxopyrrol-1-yl)methyl thiocyanate.
Chemical Property Profile of Thiocyanic acid, maleimido-methyl ester
Property Insights of Thiocyanic acid, maleimido-methyl ester
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, maleimido-methyl ester. The TPSA of 86.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, maleimido-methyl ester. Following Lipinski's Rule of Five, Thiocyanic acid, maleimido-methyl ester has 0 hydrogen bond donor(s) and 4 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, maleimido-methyl ester?
The CAS number of Thiocyanic acid, maleimido-methyl ester is 104356-19-6.
What is the molecular formula of Thiocyanic acid, maleimido-methyl ester?
The molecular formula of Thiocyanic acid, maleimido-methyl ester is C6H4N2O2S.
What is the molecular weight of Thiocyanic acid, maleimido-methyl ester?
The molecular weight of Thiocyanic acid, maleimido-methyl ester is 168.00 g/mol.
Where can I buy Thiocyanic acid, maleimido-methyl ester?
You can request a quote for Thiocyanic acid, maleimido-methyl 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, maleimido-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, maleimido-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.