Butanoic acid, 4-isothiocyanato-, ethyl ester

CAS Registry Number®

17126-65-7

CAS Name

Butanoic acid, 4-isothiocyanato-, ethyl ester

Molecular Formula

C7H11NO2S

Molecular Mass

173.23

Cite this Page

Butanoic acid, 4-isothiocyanato-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17126-65-7 (retrieved 2024-11-22) (CAS RN: 17126-65-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    98 °C @ Press: 2 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H11NO2S/c1-2-10-7(9)4-3-5-8-6-11/h2-5H2,1H3

InChIKey

InChIKey=FAGABVVHWPYGBK-UHFFFAOYSA-N

SMILES

C(CCCN=C=S)(OCC)=O

Canonical SMILES

O=C(OCC)CCCN=C=S

Other Names for this Substance

  • Butanoic acid, 4-isothiocyanato-, ethyl ester
  • Butyric acid, 4-isothiocyanato-, ethyl ester
  • Ethyl 4-isothiocyanatobutyrate
  • Ethyl 4-isothiocyanatobutanoate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration