5-(methylsulfanyl)pentanenitrile - CAS 59121-25-4
Catalog: |
BB056371 |
Product Name: |
5-(methylsulfanyl)pentanenitrile |
CAS: |
59121-25-4 |
Synonyms: |
5-(Methylsulfanyl)pentanenitrile; 5-methylsulfanylpentanenitrile; 5-(Methylthio)pentanenitrile; Pentanenitrile, 5-(methylthio)-; 5-(methylthio)-valeronitrile,5-(methylthio)-pentanenitrile,1-cyano-4-(methylthio)butane,5-methylthiopentanenitrile; 1-Cyano-4-(methylthio)butane; 4-Methylthiobutylcyanid; 5-methylthiopentanenitrile |
IUPAC Name: | 5-methylsulfanylpentanenitrile |
Description: | 5-(methylsulfanyl)pentanenitrile (cas# 59121-25-4) is a useful research chemical. |
Molecular Weight: | 129.22 |
Molecular Formula: | C6H11NS |
Canonical SMILES: | CSCCCCC#N |
InChI: | InChI=1S/C6H11NS/c1-8-6-4-2-3-5-7/h2-4,6H2,1H3 |
InChI Key: | XPUDGEZWSNPCMM-UHFFFAOYSA-N |
Solubility: | Chloroform (Sparingly), Methanol (Slightly) |
Appearance: | Light Yellow Oil |
Storage: | Refrigerator |
Complexity: | 81.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 129.06122053 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 129.06122053 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 49.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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