Thiocyanic acid, 2-bromo-1-(methoxymethyl)ethenyl ester
TL;DR: Thiocyanic acid, 2-bromo-1-(methoxymethyl)ethenyl ester (CAS 89049-20-7) is a chemical compound with molecular formula C5H6BrNOS and molecular weight 206.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-bromo-3-methoxyprop-1-en-2-yl) thiocyanate
Also Known As: Thiocyanic acid, 2-bromo-1-(methoxymethyl)ethenyl ester, 1-bromo-3-methoxy-2-thiocyanato-prop-1-ene, 1-bromo-3-methoxyprop-1-en-2-yl thiocyanate, (1-bromo-3-methoxyprop-1-en-2-yl) thiocyanate
| Molecular Formula | C5H6BrNOS |
|---|---|
| Molecular Weight | 206.94 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.93535 |
| Heavy Atoms | 9 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 89049-20-7 |
|---|---|
| SMILES | COCC(=CBr)SC#N |
| InChIKey | NNFQUOSQHXCSPC-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, 2-bromo-1-(methoxymethyl)ethenyl ester (CAS 89049-20-7), with molecular formula C5H6BrNOS and molecular weight 206.94 g/mol. IUPAC: (1-bromo-3-methoxyprop-1-en-2-yl) thiocyanate.
Chemical Property Profile of Thiocyanic acid, 2-bromo-1-(methoxymethyl)ethenyl ester
Property Insights of Thiocyanic acid, 2-bromo-1-(methoxymethyl)ethenyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, 2-bromo-1-(methoxymethyl)ethenyl ester. With a topological polar surface area (TPSA) of 58.3 Ų, Thiocyanic acid, 2-bromo-1-(methoxymethyl)ethenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiocyanic acid, 2-bromo-1-(methoxymethyl)ethenyl ester has 0 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, 2-bromo-1-(methoxymethyl)ethenyl ester?
The CAS number of Thiocyanic acid, 2-bromo-1-(methoxymethyl)ethenyl ester is 89049-20-7.
What is the molecular formula of Thiocyanic acid, 2-bromo-1-(methoxymethyl)ethenyl ester?
The molecular formula of Thiocyanic acid, 2-bromo-1-(methoxymethyl)ethenyl ester is C5H6BrNOS.
What is the molecular weight of Thiocyanic acid, 2-bromo-1-(methoxymethyl)ethenyl ester?
The molecular weight of Thiocyanic acid, 2-bromo-1-(methoxymethyl)ethenyl ester is 206.94 g/mol.
Where can I buy Thiocyanic acid, 2-bromo-1-(methoxymethyl)ethenyl ester?
You can request a quote for Thiocyanic acid, 2-bromo-1-(methoxymethyl)ethenyl 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, 2-bromo-1-(methoxymethyl)ethenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, 2-bromo-1-(methoxymethyl)ethenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.