Thiocyanic acid, (ethylimino)di-2,1-ethanediyl ester
TL;DR: Thiocyanic acid, (ethylimino)di-2,1-ethanediyl ester (CAS 64048-01-7) is a chemical compound with molecular formula C8H13N3S2 and molecular weight 215.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[ethyl(2-thiocyanatoethyl)amino]ethyl thiocyanate
Also Known As: Thiocyanic acid, (ethylimino)di-2,1-ethanediyl ester, Thiocyanic acid, diester with 2,2'-(ethylamino)diethanol, 3-04-00-00732 (Beilstein Handbook Reference), 2-[ethyl(2-thiocyanatoethyl)amino]ethyl thiocyanate, (Ethylazanediyl)di(ethane-2,1-diyl) bis(thiocyanate)
| Molecular Formula | C8H13N3S2 |
|---|---|
| Molecular Weight | 215.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 215.05508 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 64048-01-7 |
|---|---|
| SMILES | CCN(CCSC#N)CCSC#N |
| InChIKey | NUISWJCADKBUQZ-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, (ethylimino)di-2,1-ethanediyl ester (CAS 64048-01-7), with molecular formula C8H13N3S2 and molecular weight 215.06 g/mol. IUPAC: 2-[ethyl(2-thiocyanatoethyl)amino]ethyl thiocyanate.
Chemical Property Profile of Thiocyanic acid, (ethylimino)di-2,1-ethanediyl ester
Property Insights of Thiocyanic acid, (ethylimino)di-2,1-ethanediyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, (ethylimino)di-2,1-ethanediyl ester. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, (ethylimino)di-2,1-ethanediyl ester. Following Lipinski's Rule of Five, Thiocyanic acid, (ethylimino)di-2,1-ethanediyl ester has 0 hydrogen bond donor(s) and 5 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, (ethylimino)di-2,1-ethanediyl ester?
The CAS number of Thiocyanic acid, (ethylimino)di-2,1-ethanediyl ester is 64048-01-7.
What is the molecular formula of Thiocyanic acid, (ethylimino)di-2,1-ethanediyl ester?
The molecular formula of Thiocyanic acid, (ethylimino)di-2,1-ethanediyl ester is C8H13N3S2.
What is the molecular weight of Thiocyanic acid, (ethylimino)di-2,1-ethanediyl ester?
The molecular weight of Thiocyanic acid, (ethylimino)di-2,1-ethanediyl ester is 215.06 g/mol.
Where can I buy Thiocyanic acid, (ethylimino)di-2,1-ethanediyl ester?
You can request a quote for Thiocyanic acid, (ethylimino)di-2,1-ethanediyl 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, (ethylimino)di-2,1-ethanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, (ethylimino)di-2,1-ethanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.