Butyl thiocyanate

C₅H₉NSCAS 628-83-1115.19 g/mol

Open in Covalent MOL file

Nitrile Sulfide

Properties

Molecular formula: C₅H₉NS
Molar mass: 115.19 g/mol
Exact mass: 115.0456 Da
Density: 0.9563 g/mL (at 25 °C)
Boiling point: 186 °C
logP: 2.00Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

628-83-1

SMILES

CCCCSC#N

InChIKey

HXNXAEYAXNPLHJ-UHFFFAOYSA-N

InChI

InChI=1S/C5H9NS/c1-2-3-4-7-5-6/h2-4H2,1H3

Weigh it out

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

Names and synonyms

5 names

Thiocyanic acid, butyl ester
Butane, 1-thiocyanato-
1-Thiocyanobutane
n-Butyl thiocyanate
NSC 1478

Work with Butyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pentyl thiocyanate32446-40-586 % similar (3-Thiocyanatopropyl)triethoxysilane34708-08-248 % similar Ethyl thiocyanate542-90-548 % similar Dibutyl sulfide544-40-145 % similar Butyl disulfide629-45-845 % similar Butyl methyl sulfide628-29-542 % similar Methylene bis(thiocyanate)6317-18-641 % similar Pentanenitrile110-59-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

sec-Butyl isothiocyanate4426-79-3 tert-Butyl isothiocyanate590-42-1 Isobutyl isothiocyanate591-82-2 Butyl isothiocyanate592-82-5

Elsewhere

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