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Propanedinitrile, [[(4-ethylphenyl)amino](methylthio)methylene]-
TL;DR: Propanedinitrile, [[(4-ethylphenyl)amino](methylthio)methylene]- (CAS 824397-64-0) is a chemical compound with molecular formula C13H13N3S and molecular weight 243.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethylanilino)-methylsulfanylmethylidene]propanedinitrile
Also Known As: Propanedinitrile, [[(4-ethylphenyl)amino](methylthio)methylene]-, 2-[(4-ethylanilino)-methylsulfanylmethylidene]propanedinitrile, [(4-Ethylanilino)(methylsulfanyl)methylidene]propanedinitrile
| Molecular Formula | C13H13N3S |
|---|---|
| Molecular Weight | 243.08 g/mol |
| LogP | 3.28266 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.08302 |
| Heavy Atoms | 17 |
| Complexity | 472.88123 |
Chemical Identifiers
| CAS Number | 824397-64-0 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=C(C#N)C#N)SC |
Product Overview
Propanedinitrile, [[(4-ethylphenyl)amino](methylthio)methylene]- (CAS 824397-64-0), with molecular formula C13H13N3S and molecular weight 243.08 g/mol. IUPAC: 2-[(4-ethylanilino)-methylsulfanylmethylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, [[(4-ethylphenyl)amino](methylthio)methylene]-
Property Insights of Propanedinitrile, [[(4-ethylphenyl)amino](methylthio)methylene]-
The XLogP value of 3.28266 indicates that Propanedinitrile, [[(4-ethylphenyl)amino](methylthio)methylene]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.61 Ų, Propanedinitrile, [[(4-ethylphenyl)amino](methylthio)methylene]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedinitrile, [[(4-ethylphenyl)amino](methylthio)methylene]- has 1 hydrogen bond donor(s) and 4 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 Propanedinitrile, [[(4-ethylphenyl)amino](methylthio)methylene]-?
The CAS number of Propanedinitrile, [[(4-ethylphenyl)amino](methylthio)methylene]- is 824397-64-0.
What is the molecular formula of Propanedinitrile, [[(4-ethylphenyl)amino](methylthio)methylene]-?
The molecular formula of Propanedinitrile, [[(4-ethylphenyl)amino](methylthio)methylene]- is C13H13N3S.
What is the molecular weight of Propanedinitrile, [[(4-ethylphenyl)amino](methylthio)methylene]-?
The molecular weight of Propanedinitrile, [[(4-ethylphenyl)amino](methylthio)methylene]- is 243.08 g/mol.
Where can I buy Propanedinitrile, [[(4-ethylphenyl)amino](methylthio)methylene]-?
You can request a quote for Propanedinitrile, [[(4-ethylphenyl)amino](methylthio)methylene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, [[(4-ethylphenyl)amino](methylthio)methylene]-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, [[(4-ethylphenyl)amino](methylthio)methylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.