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ScientificNameLabel
6-Methylthiohexanonitrile
PHCD compound ID : 3639
Chemical Names :
6-Methylthiohexanonitrile
Molecular Formula : C7H13N1S1
Molecular Weight : 143.07687
More Details :
Names & Synonyms:
Smiles: CSCCCCCC#N
InChi : InChI=1S/C7H13NS/c1-9-7-5-3-2-4-6-8/h2-5,7H2,1H3
InChi Key : InChIKey=ULSCBSNSXYDREI-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.619811
Hydrogen bond donor count : 0 Electric dipole moment : 3.427
XLogP : 1.971 VDW volume : 153.861218
Molecular weight : 143.07687 HOMO-LUMO gap : 8.725000
Herb list :
Refrences & Litretures:
  
508.      Journal:'Flavour Fragr. J'      Year:'2005'      Volume:'20'      Page:'158'      DOI:'10.1002/ffj.1335'      Title:'Volatile components of the leaves of Brassica rapa L. var. perviridis Bailey'
844.      Journal:'Flavour Fragr. J'      Year:'2002'      Volume:'17'      Page:'187'      DOI:'10.1002/ffj.1079'      Title:'Composition of the essential oil from the leaves of Eruca sativa'
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