1-Propene, 1-(methylthio)-, (E)-

• Formula: C₄H₈S
• Molecular weight: 88.171
• IUPAC Standard InChI: InChI=1S/C4H8S/c1-3-4-5-2/h3-4H,1-2H3/b4-3+ Copy

  
• IUPAC Standard InChIKey: YJOGCMRDEUBRJD-ONEGZZNKSA-N Copy
• CAS Registry Number: 42848-06-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Species with the same structure:
  • Methyl 1-propenyl sulfide
  • (E)-1-(Methylthio)-1-propene
• Stereoisomers:
  • 1-Propene, 1-(methylthio)-, (Z)-
  • 1-Propene-1-methylthio
• Other names: (1E)-1-(Methylsulfanyl)-1-propene
• Information on this page:
  • Reaction thermochemistry data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
• Options:
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Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

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By formula: C₄H₈S = C₄H₈S

=

By formula: C₄H₈S = C₄H₈S

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Kimmelma, 1988
Kimmelma, R., Structure-stability relationships in vinyl sulfides. III. Stabilization caused by different alkylthio and phenylthio groups attached to an olefinic double bond, Acta Chem. Scand., 1988, 42, 550-555. [all data]

Virtanen, 1986
Virtanen, R., Structure-stability relationships in vinyl sulfides. I. On the stable conformations of vinyl sulfides, Acta Chem. Scand., 1986, 40, 313-327. [all data]

Kuo and Ho, 1992
Kuo, M.-C.; Ho, C.-T., Volatile constituents of the solvent extracts of Welsh onions (Allium fistulosum L. variety Maichuon) and scallions (A. fistulosum L. variety caepitosum), J. Agric. Food Chem., 1992, 40, 10, 1906-1910, https://doi.org/10.1021/jf00022a036 . [all data]

Shivashankar, Roy, et al., 2012
Shivashankar, S.; Roy, T.K.; Moorthy, P.N.R., Headspace solid phase micro extraction and GC/MS analysis of the volatile components in seed and cake of Azadirachta indica A. juss, Chem. Bull. of Politechnika Univ. Timisoara, Romania, 2012, 57(71), 1, 1-6. [all data]

Notes

Go To: Top, Reaction thermochemistry data, Gas Chromatography, References

• Symbols used in this document:
  

  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
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