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2-[Amino(benzylsulfanyl)methylidene]propanedinitrile
TL;DR: 2-[Amino(benzylsulfanyl)methylidene]propanedinitrile (CAS 109228-98-0) is a chemical compound with molecular formula C11H9N3S and molecular weight 215.05171 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[amino(benzylsulfanyl)methylidene]propanedinitrile
Also Known As: Bionet2_000197, 2-[amino(benzylsulfanyl)methylidene]propanedinitrile, 2-[amino(benzylsulfanyl)methylene]malononitrile, 2-(Amino(benzylsulfanyl)methylene)malononitrile, 7C-007
Technical Specifications
| Molecular Formula | C11H9N3S |
| Molecular Weight | 215.05171 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 98.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.05171 Da |
| Heavy Atoms | 15 |
| Complexity | 317.0 |
| SMILES | C1=CC=C(C=C1)CSC(=C(C#N)C#N)N |
| InChIKey | NBHISXYZFMVUNF-UHFFFAOYSA-N |
Chemical Property Profile of 2-[Amino(benzylsulfanyl)methylidene]propanedinitrile
Property Insights of 2-[Amino(benzylsulfanyl)methylidene]propanedinitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Amino(benzylsulfanyl)methylidene]propanedinitrile. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[Amino(benzylsulfanyl)methylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[Amino(benzylsulfanyl)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
What is the CAS number of 2-[Amino(benzylsulfanyl)methylidene]propanedinitrile?
The CAS number of 2-[Amino(benzylsulfanyl)methylidene]propanedinitrile is 109228-98-0.
What is the molecular formula of 2-[Amino(benzylsulfanyl)methylidene]propanedinitrile?
The molecular formula of 2-[Amino(benzylsulfanyl)methylidene]propanedinitrile is C11H9N3S.
What is the molecular weight of 2-[Amino(benzylsulfanyl)methylidene]propanedinitrile?
The molecular weight of 2-[Amino(benzylsulfanyl)methylidene]propanedinitrile is 215.05171 g/mol.
Where can I buy 2-[Amino(benzylsulfanyl)methylidene]propanedinitrile?
You can request a quote for 2-[Amino(benzylsulfanyl)methylidene]propanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[Amino(benzylsulfanyl)methylidene]propanedinitrile?
Yes, CoreyChem provides custom synthesis services for 2-[Amino(benzylsulfanyl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.