1-Butyl-3-methylimidazolium thiocyanate

C₉H₁₅N₃SCAS 344790-87-0197.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₅N₃S
Molar mass: 197.30 g/mol
Exact mass: 197.0987 Da
Density: 1.0698 g/mL (at 25 °C)
Melting point: −28.63 °C
logP: 1.13Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

344790-87-0

SMILES

CCCCn1cc[n+](C)c1.N#C[S-]

InChIKey

SIXHYMZEOJSYQH-UHFFFAOYSA-M

InChI

InChI=1S/C8H15N2.CHNS/c1-3-4-5-10-7-6-9(2)8-10;2-1-3/h6-8H,3-5H2,1-2H3;3H/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names

1H-Imidazolium, 3-butyl-1-methyl-, thiocyanate (1:1)
1H-Imidazolium, 1-butyl-3-methyl-, thiocyanate
1-Butyl-3-methyl-1H-imidazolium isothiocyanate
BMIMSCN
1-Methyl-3-butylimidazolium thiocyanate
Butylmethylimidazolium thiocyanate

Work with 1-Butyl-3-methylimidazolium thiocyanate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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