Diethyl(2-isothiocyanatoethyl)amine
TL;DR: Diethyl(2-isothiocyanatoethyl)amine (CAS 32813-52-8) is a chemical compound with molecular formula C7H14N2S and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-isothiocyanatoethanamine
Also Known As: N,N-diethyl-2-isothiocyanatoethanamine, diethyl(2-isothiocyanatoethyl)amine, diethylaminoethyl isothiocyanate, Ethanamine, N,N-diethyl-2-isothiocyanato-, 2-Diethylaminoethyl isothiocyanate
| Molecular Formula | C7H14N2S |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 1.431 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.08777 |
| Heavy Atoms | 10 |
| Complexity | 114.77451 |
Chemical Identifiers
| CAS Number | 32813-52-8 |
|---|---|
| SMILES | CCN(CC)CCN=C=S |
Product Overview
Diethyl(2-isothiocyanatoethyl)amine (CAS 32813-52-8), with molecular formula C7H14N2S and molecular weight 158.09 g/mol. IUPAC: N,N-diethyl-2-isothiocyanatoethanamine.
Chemical Property Profile of Diethyl(2-isothiocyanatoethyl)amine
Property Insights of Diethyl(2-isothiocyanatoethyl)amine
The XLogP value of 1.431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl(2-isothiocyanatoethyl)amine. With a topological polar surface area (TPSA) of 15.6 Ų, Diethyl(2-isothiocyanatoethyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl(2-isothiocyanatoethyl)amine 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 Diethyl(2-isothiocyanatoethyl)amine?
The CAS number of Diethyl(2-isothiocyanatoethyl)amine is 32813-52-8.
What is the molecular formula of Diethyl(2-isothiocyanatoethyl)amine?
The molecular formula of Diethyl(2-isothiocyanatoethyl)amine is C7H14N2S.
What is the molecular weight of Diethyl(2-isothiocyanatoethyl)amine?
The molecular weight of Diethyl(2-isothiocyanatoethyl)amine is 158.09 g/mol.
Where can I buy Diethyl(2-isothiocyanatoethyl)amine?
You can request a quote for Diethyl(2-isothiocyanatoethyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl(2-isothiocyanatoethyl)amine?
Yes, KEHONG BIO provides custom synthesis services for Diethyl(2-isothiocyanatoethyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.