硫氰酸马来酰亚胺基甲基酯
TL;DR: 硫氰酸马来酰亚胺基甲基酯 (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.
硫氰酸马来酰亚胺基甲基酯
(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
硫氰酸马来酰亚胺基甲基酯 (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 硫氰酸马来酰亚胺基甲基酯
Property Insights of 硫氰酸马来酰亚胺基甲基酯
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫氰酸马来酰亚胺基甲基酯. The TPSA of 86.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫氰酸马来酰亚胺基甲基酯. Following Lipinski's Rule of Five, 硫氰酸马来酰亚胺基甲基酯 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 硫氰酸马来酰亚胺基甲基酯?
The CAS number of 硫氰酸马来酰亚胺基甲基酯 is 104356-19-6.
What is the molecular formula of 硫氰酸马来酰亚胺基甲基酯?
The molecular formula of 硫氰酸马来酰亚胺基甲基酯 is C6H4N2O2S.
What is the molecular weight of 硫氰酸马来酰亚胺基甲基酯?
The molecular weight of 硫氰酸马来酰亚胺基甲基酯 is 168.00 g/mol.
Where can I buy 硫氰酸马来酰亚胺基甲基酯?
You can request a quote for 硫氰酸马来酰亚胺基甲基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫氰酸马来酰亚胺基甲基酯?
Yes, KEHONG BIO provides custom synthesis services for 硫氰酸马来酰亚胺基甲基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.