Butanoic acid, 2-isothiocyanato-3-methyl-, ethyl ester, (S)-

CAS Registry Number®

26349-76-8

CAS Name

Butanoic acid, 2-isothiocyanato-3-methyl-, ethyl ester, (S)-

Molecular Formula

C8H13NO2S

Molecular Mass

187.26

Cite this Page

Butanoic acid, 2-isothiocyanato-3-methyl-, ethyl ester, (S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=26349-76-8 (retrieved 2024-11-08) (CAS RN: 26349-76-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H13NO2S/c1-4-11-8(10)7(6(2)3)9-5-12/h6-7H,4H2,1-3H3/t7-/m0/s1

InChIKey

InChIKey=MWCPMVGNNCNZPM-ZETCQYMHSA-N

SMILES

[C@H](C(OCC)=O)(N=C=S)C(C)C

Canonical SMILES

O=C(OCC)C(N=C=S)C(C)C

Other Names for this Substance

  • Butanoic acid, 2-isothiocyanato-3-methyl-, ethyl ester, (S)-
  • Butyric acid, 2-isothiocyanato-3-methyl-, ethyl ester, L-
  • NSC 218420

CAS INSIGHTSTM
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