3-(Diethylamino)propyl isothiocyanate
TL;DR: 3-(Diethylamino)propyl isothiocyanate (CAS 2626-52-0) is a chemical compound with molecular formula C8H16N2S and molecular weight 172.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-3-isothiocyanatopropan-1-amine
Also Known As: 3-(Diethylamino)propyl isothiocyanate, 3-(Diethylamino)propylisothiocyanate, N,N-diethyl-3-isothiocyanatopropan-1-amine, diethyl(3-isothiocyanatopropyl)amine, 1-Propanamine, N,N-diethyl-3-isothiocyanato-
| Molecular Formula | C8H16N2S |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 1.8211 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.10342 |
| Heavy Atoms | 11 |
| Complexity | 126.05375 |
Chemical Identifiers
| CAS Number | 2626-52-0 |
|---|---|
| SMILES | CCN(CC)CCCN=C=S |
Product Overview
3-(Diethylamino)propyl isothiocyanate (CAS 2626-52-0), with molecular formula C8H16N2S and molecular weight 172.10 g/mol. IUPAC: N,N-diethyl-3-isothiocyanatopropan-1-amine.
Chemical Property Profile of 3-(Diethylamino)propyl isothiocyanate
Property Insights of 3-(Diethylamino)propyl isothiocyanate
The XLogP value of 1.8211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Diethylamino)propyl isothiocyanate. With a topological polar surface area (TPSA) of 15.6 Ų, 3-(Diethylamino)propyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Diethylamino)propyl isothiocyanate 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 3-(Diethylamino)propyl isothiocyanate?
The CAS number of 3-(Diethylamino)propyl isothiocyanate is 2626-52-0.
What is the molecular formula of 3-(Diethylamino)propyl isothiocyanate?
The molecular formula of 3-(Diethylamino)propyl isothiocyanate is C8H16N2S.
What is the molecular weight of 3-(Diethylamino)propyl isothiocyanate?
The molecular weight of 3-(Diethylamino)propyl isothiocyanate is 172.10 g/mol.
Where can I buy 3-(Diethylamino)propyl isothiocyanate?
You can request a quote for 3-(Diethylamino)propyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Diethylamino)propyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diethylamino)propyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.