Thiocyanic acid, iodomethyl ester
TL;DR: Thiocyanic acid, iodomethyl ester (CAS 73909-00-9) is a chemical compound with molecular formula C2H2INS and molecular weight 198.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
iodomethyl thiocyanate
Also Known As: Iodomethyl thiocyanate, iodomethylthiocyanate, Thiocyanic acid, iodomethyl ester, Thiocyanic acid,iodomethyl ester, THIOCYANIC ACID IODOMETHYL ESTER
| Molecular Formula | C2H2INS |
|---|---|
| Molecular Weight | 198.90 g/mol |
| LogP | 1.59318 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.89526 |
| Heavy Atoms | 5 |
| Complexity | 48.099865 |
Chemical Identifiers
| CAS Number | 73909-00-9 |
|---|---|
| SMILES | C(SC#N)I |
Product Overview
Thiocyanic acid, iodomethyl ester (CAS 73909-00-9), with molecular formula C2H2INS and molecular weight 198.90 g/mol. IUPAC: iodomethyl thiocyanate.
Chemical Property Profile of Thiocyanic acid, iodomethyl ester
Property Insights of Thiocyanic acid, iodomethyl ester
The XLogP value of 1.59318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, iodomethyl ester. With a topological polar surface area (TPSA) of 23.79 Ų, Thiocyanic acid, iodomethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiocyanic acid, iodomethyl ester has 0 hydrogen bond donor(s) and 2 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, iodomethyl ester?
The CAS number of Thiocyanic acid, iodomethyl ester is 73909-00-9.
What is the molecular formula of Thiocyanic acid, iodomethyl ester?
The molecular formula of Thiocyanic acid, iodomethyl ester is C2H2INS.
What is the molecular weight of Thiocyanic acid, iodomethyl ester?
The molecular weight of Thiocyanic acid, iodomethyl ester is 198.90 g/mol.
Where can I buy Thiocyanic acid, iodomethyl ester?
You can request a quote for Thiocyanic acid, iodomethyl 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, iodomethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, iodomethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.