Allyl methyl sulfide

Details

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Internal ID fe33cee7-6bc9-4573-b301-3f6ec3a98b44
Taxonomy Organosulfur compounds > Allyl sulfur compounds
IUPAC Name 3-methylsulfanylprop-1-ene
SMILES (Canonical) CSCC=C
SMILES (Isomeric) CSCC=C
InChI InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3
InChI Key NVLPQIPTCCLBEU-UHFFFAOYSA-N
Popularity 209 references in papers

Physical and Chemical Properties

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Molecular Formula C4H8S
Molecular Weight 88.17 g/mol
Exact Mass 88.03467143 g/mol
Topological Polar Surface Area (TPSA) 25.30 Ų
XlogP 1.50

Synonyms

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10152-76-8
1-Propene, 3-(methylthio)-
3-methylsulfanylprop-1-ene
Allyl methyl sulphide
3-methylthio-1-propene
3-(methylthio)-1-propene
Sulfide, allyl methyl
Methyl allyl sulfide
3-(methylsulfanyl)prop-1-ene
CCRIS 7066
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Allyl methyl sulfide

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
No predicted targets yet!

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Allium sativum
Allium tuberosum
Allium victorialis
Aniba megaphylla
Berberis integerrima
Calocedrus decurrens
Digitalis sceptrum
Herbertus sakuraii
Nauclea latifolia
Orthopappus angustifolius
Scurrula parasitica
Zingiber officinale

Cross-Links

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PubChem 66282
NPASS NPC54199