Methyl 2-isothiocyanatobutanoate

CAS Registry Number®

68693-53-8
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CAS Name

Methyl 2-isothiocyanatobutanoate

Molecular Formula

C6H9NO2S

Molecular Mass

159.21

Cite this Page

Methyl 2-isothiocyanatobutanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68693-53-8 (retrieved 2024-08-02) (CAS RN: 68693-53-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C6H9NO2S/c1-3-5(7-4-10)6(8)9-2/h5H,3H2,1-2H3

InChIKey

InChIKey=JQEICALGZPXFNA-UHFFFAOYSA-N

SMILES

C(C(OC)=O)(N=C=S)CC

Canonical SMILES

O=C(OC)C(N=C=S)CC

Other Names for this Substance

  • Butanoic acid, 2-isothiocyanato-, methyl ester
  • Methyl 2-isothiocyanatobutanoate