![[(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile structure](/static/products/6125/61254-33-9.webp)
[(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile
TL;DR: [(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile (CAS 61254-33-9) is a chemical compound with molecular formula C7H7N3S and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[aziridin-1-yl(methylsulfanyl)methylidene]propanedinitrile
Also Known As: 1-Aziridinyl(methylthio)methylenemalononitrile, J1.179.700H, [(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile, 2-[aziridin-1-yl(methylsulfanyl)methylidene]propanedinitrile, 2-[(aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile
| Molecular Formula | C7H7N3S |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.03607 |
| Heavy Atoms | 11 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 61254-33-9 |
|---|---|
| SMILES | CSC(=C(C#N)C#N)N1CC1 |
| InChIKey | ZXBWBHCGTIPSAT-UHFFFAOYSA-N |
Product Overview
[(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile (CAS 61254-33-9), with molecular formula C7H7N3S and molecular weight 165.04 g/mol. IUPAC: 2-[aziridin-1-yl(methylsulfanyl)methylidene]propanedinitrile.
Chemical Property Profile of [(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile
Property Insights of [(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for [(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile. Following Lipinski's Rule of Five, [(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile has 0 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 [(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile?
The CAS number of [(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile is 61254-33-9.
What is the molecular formula of [(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile?
The molecular formula of [(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile is C7H7N3S.
What is the molecular weight of [(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile?
The molecular weight of [(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile is 165.04 g/mol.
Where can I buy [(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile?
You can request a quote for [(Aziridin-1-yl)(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 [(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [(Aziridin-1-yl)(methylsulfanyl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.