2-(4-Morpholino)ethyl isothiocyanate

C₇H₁₂N₂OSCAS 63224-35-1172.25 g/mol

Open in Covalent MOL file

Ether Isothiocyanate Tertiary amine

Properties

Molecular formula: C₇H₁₂N₂OS
Molar mass: 172.25 g/mol
Exact mass: 172.0670 Da
logP: 0.42Crippen estimate
Polar surface area: 24.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

63224-35-1

SMILES

C1COCCN1CCN=C=S

InChIKey

SDNSCXCXVQHBGH-UHFFFAOYSA-N

InChI

InChI=1S/C7H12N2OS/c11-7-8-1-2-9-3-5-10-6-4-9/h1-6H2

Weigh it out

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

Names and synonyms

1 names

2-Morpholinoethyl isothiocyanate

Work with 2-(4-Morpholino)ethyl isothiocyanate

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

Similar compounds

Dimorpholinodiethyl ether6425-39-448 % similar 2.2.2-Cryptand23978-09-846 % similar 1-Isothiocyanato-2-methoxyethane38663-85-343 % similar 3-(Diethylamino)propyl isothiocyanate2626-52-042 % similar 1,4-Diisothiocyanatobutane4430-51-742 % similar 3-Methoxypropyl isothiocyanate17702-11-341 % similar 4-Morpholinepropanenitrile4542-47-639 % similar Dimorpholinomethane5625-90-138 % similar

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

Same formula

2-(Dimethylaminomethyl)-4-thiazolemethanol78441-69-7

Elsewhere

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