4-methanesulfinylbutanenitrile - CAS 61121-65-1
Catalog: |
BB072822 |
Product Name: |
4-methanesulfinylbutanenitrile |
CAS: |
61121-65-1 |
Synonyms: |
4-(Methylsulfinyl)butanenitrile; 4-methylsulfinylbutanenitrile; 1-Cyano-3-methylsulfinylpropane; Butanenitrile, 4-(methylsulfinyl)-; 4-methanesulfinylbutanenitrile; Iberin nitrile |
IUPAC Name: | 4-methylsulfinylbutanenitrile |
Description: | 4-methanesulfinylbutanenitrile (cas# 61121-65-1) is a useful research chemical. |
Molecular Weight: | 131.19 |
Molecular Formula: | C5H9NOS |
Canonical SMILES: | CS(=O)CCCC#N |
InChI: | InChI=1S/C5H9NOS/c1-8(7)5-3-2-4-6/h2-3,5H2,1H3 |
InChI Key: | XCDBAGVWCGHEFB-UHFFFAOYSA-N |
Solubility: | Chloroform, Ethyl Acetate (Slightly) |
Appearance: | Colourless Oil |
Storage: | 4°C |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P317, P321, P330, P342+P316, P362+P364, and P501 |
Signal Word: | Danger |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 131.04048508 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 131.04048508 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 60.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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