560456

Sigma-Aldrich

2-Piperidinoethyl isothiocyanate

95%

Synonym(s):
1-(2-Isothiocyanatoethyl)-piperidine, 2-(1-Piperidinyl)ethyl isothiocyanate
Empirical Formula (Hill Notation):
C8H14N2S
CAS Number:
Molecular Weight:
170.28
MDL number:
PubChem Substance ID:

Quality Level

assay

95%

form

liquid

refractive index

n20/D 1.5350 (lit.)

bp

104-105 °C (lit.)

density

1.030 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

S=C=NCCN1CCCCC1

InChI

1S/C8H14N2S/c11-8-9-4-7-10-5-2-1-3-6-10/h1-7H2

InChI key

KMTVCPOROYMLTN-UHFFFAOYSA-N

Application

2-Piperidinoethyl isothiocyanate may be used to synthesize 1-(1-benzylpiperidin-4-yl)-3-(2-(piperidin-1-yl)ethyl)thiourea, a bifunctional thiourea based organocatalyst.
Reactant for synthesis of:
  • Urea and thiourea derivatvies as antmalarial chemotherapeutics
  • Neuropeptides S antagonist
  • N-substituted imidazoles
  • Thio-containing compounds

Packaging

1 g in glass bottle

Pictograms

Skull and crossbones

Signal Word

Danger

Hazard Statements

Precautionary Statements

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

UN 2810 6.1 / PGIII

WGK Germany

3

Flash Point(F)

230 °F

Flash Point(C)

110 °C

Diversity oriented synthesis of tri-substituted methane containing aminouracil and hydroxynaphthoquinone/hydroxycoumarin moiety using organocatalysed multicomponent reactions in aqueous medium.
Bharti R and Parvin T.
Royal Society of Chemistry Advances, 5(82), 66833-66839 (2015)

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