Isobornyl thiocyanoacetate

CAS Registry Number®

115-31-1

CAS Name

Isobornyl thiocyanoacetate

Molecular Formula

C13H19NO2S

Molecular Mass

253.36

Cite this Page

Isobornyl thiocyanoacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=115-31-1 (retrieved 2024-11-25) (CAS RN: 115-31-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    95 °C @ Press: 0.06 Torr

  • Density (1)

    1.1465 g/cm³ @ Temp: 25 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1/C13H19NO2S/c1-12(2)9-4-5-13(12,3)10(6-9)16-11(15)7-17-8-14/h9-10H,4-7H2,1-3H3/t9-,10-,13+/s2

InChIKey

InChIKey=IXEVGHXRXDBAOB-YFGZVMCONA-N

SMILES

C[C@@]12[C@@H](OC(CSC#N)=O)C[C@@](C1(C)C)(CC2)[H]

Canonical SMILES

N#CSCC(=O)OC1CC2CCC1(C)C2(C)C

Other Names for this Substance

  • Acetic acid, 2-thiocyanato-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
  • Acetic acid, thiocyanato-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo-
  • Acetic acid, thiocyanato-, isobornyl ester
  • Acetic acid, thiocyanato-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
  • Terpinyl thiocyanoacetate

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Deleted or Replaced CAS Registry Numbers

8012-19-9, 55870-89-8

CAS INSIGHTSTM
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