Alliin
CAS Registry Number®
556-27-4
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CAS Name
AlliinMolecular Formula
C6H11NO3SMolecular Mass
177.22Cite this Page
Alliin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=556-27-4 (retrieved ) (CAS RN: 556-27-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
165 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11-/m0/s1
InChIKey
InChIKey=XUHLIQGRKRUKPH-DYEAUMGKSA-N
SMILES
S(C[C@@H](C(O)=O)N)(CC=C)=O
Canonical SMILES
O=C(O)C(N)CS(=O)CC=C
Other Names for this Substance
- L-Cysteine, S-2-propen-1-yl-, S-oxide, [S(S)]-
- Alanine, 3-(allylsulfinyl)-, (S)-L-
- L-Alanine, 3-(2-propenylsulfinyl)-, (S)-
- Alanine, 3-(allylsulfinyl)-
- L-Alanine, 3-[(S)-2-propenylsulfinyl]-
Deleted or Replaced CAS Registry Numbers
23358-38-5
