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[(Ethylamino)(methylsulfanyl)methylidene]propanedinitrile
TL;DR: [(Ethylamino)(methylsulfanyl)methylidene]propanedinitrile (CAS 404583-00-2) is a chemical compound with molecular formula C7H9N3S and molecular weight 167.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[ethylamino(methylsulfanyl)methylidene]propanedinitrile
Also Known As: 2-[(ethylamino)methylsulfanylmethylene]malononitrile, [(Ethylamino)(methylsulfanyl)methylidene]propanedinitrile, 2-((ethylamino)(methylthio)methylene)malononitrile, 2-[ethylamino(methylsulfanyl)methylidene]propanedinitrile, Propanedinitrile, [(ethylamino)(methylthio)methylene]-
| Molecular Formula | C7H9N3S |
|---|---|
| Molecular Weight | 167.05 g/mol |
| LogP | 1.21766 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.05171 |
| Heavy Atoms | 11 |
| Complexity | 215.05069 |
Chemical Identifiers
| CAS Number | 404583-00-2 |
|---|---|
| SMILES | CCNC(=C(C#N)C#N)SC |
Product Overview
[(Ethylamino)(methylsulfanyl)methylidene]propanedinitrile (CAS 404583-00-2), with molecular formula C7H9N3S and molecular weight 167.05 g/mol. IUPAC: 2-[ethylamino(methylsulfanyl)methylidene]propanedinitrile.
Chemical Property Profile of [(Ethylamino)(methylsulfanyl)methylidene]propanedinitrile
Property Insights of [(Ethylamino)(methylsulfanyl)methylidene]propanedinitrile
The XLogP value of 1.21766 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(Ethylamino)(methylsulfanyl)methylidene]propanedinitrile. With a topological polar surface area (TPSA) of 59.61 Ų, [(Ethylamino)(methylsulfanyl)methylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(Ethylamino)(methylsulfanyl)methylidene]propanedinitrile 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 [(Ethylamino)(methylsulfanyl)methylidene]propanedinitrile?
The CAS number of [(Ethylamino)(methylsulfanyl)methylidene]propanedinitrile is 404583-00-2.
What is the molecular formula of [(Ethylamino)(methylsulfanyl)methylidene]propanedinitrile?
The molecular formula of [(Ethylamino)(methylsulfanyl)methylidene]propanedinitrile is C7H9N3S.
What is the molecular weight of [(Ethylamino)(methylsulfanyl)methylidene]propanedinitrile?
The molecular weight of [(Ethylamino)(methylsulfanyl)methylidene]propanedinitrile is 167.05 g/mol.
Where can I buy [(Ethylamino)(methylsulfanyl)methylidene]propanedinitrile?
You can request a quote for [(Ethylamino)(methylsulfanyl)methylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(Ethylamino)(methylsulfanyl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [(Ethylamino)(methylsulfanyl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.