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CAS 4430-37-9

:

1-Isothiocyanato-2-(methylthio)ethane

Description:
1-Isothiocyanato-2-(methylthio)ethane, with the CAS number 4430-37-9, is an organic compound characterized by the presence of both isothiocyanate and methylthio functional groups. This compound features a two-carbon ethane backbone, where one carbon is substituted with an isothiocyanate group (-N=C=S) and the other with a methylthio group (-S-CH3). It is typically a colorless to pale yellow liquid with a pungent odor, characteristic of isothiocyanates. The compound is known for its reactivity, particularly in nucleophilic substitution reactions, due to the electrophilic nature of the isothiocyanate group. It may exhibit biological activity, as many isothiocyanates are recognized for their potential antimicrobial and anticancer properties. Additionally, it is soluble in organic solvents and may have limited solubility in water. Safety precautions should be taken when handling this compound, as isothiocyanates can be irritants and may pose health risks upon exposure.
Formula:C4H7NS2
InChI:InChI=1S/C4H7NS2/c1-7-3-2-5-4-6/h2-3H2,1H3
InChI key:InChIKey=NRORKJAOHOBIMQ-UHFFFAOYSA-N
SMILES:C(CSC)N=C=S
Synonyms:
  • (2-Isothiocyanatoethyl)(methyl)sulfane
  • 1-Isothiocyanato-2-(methylthio)ethane
  • Isothiocyanic acid, 2-(methylthio)ethyl ester
  • 2-Methylthioethyl isothiocyanate
  • Ethane, 1-isothiocyanato-2-(methylthio)-
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