But-2-enethioamide

Details

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Internal ID 8d19df7f-f42a-4045-be8b-f4d3d40765f4
Taxonomy Organosulfur compounds > Thioamides
IUPAC Name but-2-enethioamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C4H7NS/c1-2-3-4(5)6/h2-3H,1H3,(H2,5,6)
InChI Key CZHWGVWPNCAWOR-UHFFFAOYSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C4H7NS
Molecular Weight 101.17 g/mol
Exact Mass 101.02992040 g/mol
Topological Polar Surface Area (TPSA) 58.10 Ų
XlogP 0.60

Synonyms

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SCHEMBL3869749
SCHEMBL27830745

2D Structure

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2D Structure of But-2-enethioamide

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.81% 96.09%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 85.62% 89.34%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 53748184
LOTUS LTS0125866
wikiData Q104972804