ETHYL ISOTHIOCYANATE

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Synonyms
Status
Molecule Category UNKNOWN
UNII 3284MJ2T8P
EPA CompTox DTXSID2060258

Structure

InChI Key HBNYJWAFDZLWRS-UHFFFAOYSA-N
Smiles CCN=C=S
InChI
InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5NS
Molecular Weight 87.15
AlogP 1.11
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 12.36
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 5.0
Assay Description Organism Bioactivity Reference
In vivo antifungal Sclerotinia sclerotiorum in Pepper (Capsicum annuum L. cv. Sera Demre) assessed as inhibition of mycelial growth in volatile phase at 158 umol/L measured after 10 to 14 weeks Sclerotinia sclerotiorum 70.0 %
In vivo antifungal Sclerotinia sclerotiorum in Pepper (Capsicum annuum L. cv. Sera Demre) assessed as inhibition of mycelial growth in volatile phase at 79 umol/L measured after 10 to 14 weeks Sclerotinia sclerotiorum 38.3 %
Fungistatic activity in Sclerotinia sclerotiorum assessed as inhibition of carpogenic germination in volatile phase at 786 umol/l measured at 20 degC after 5 days relative to control Sclerotinia sclerotiorum 87.5 %
Fungistatic activity in Sclerotinia sclerotiorum assessed as inhibition of carpogenic germination in volatile phase at 393 umol/l measured at 20 degC after 5 days relative to control Sclerotinia sclerotiorum 62.5 %
Fungistatic activity in Sclerotinia sclerotiorum assessed as inhibition of carpogenic germination in volatile phase at 79 umol/l measured at 20 degC after 5 days relative to control Sclerotinia sclerotiorum 52.5 %
Fungistatic activity in Sclerotinia sclerotiorum assessed as inhibition of carpogenic germination in volatile phase at 39 umol/l measured at 20 degC after 5 days relative to control Sclerotinia sclerotiorum 475.0 %
Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of germination in volatile phase at 786 umol/l measured at 20 degC after 5 days Sclerotinia sclerotiorum 100.0 %
Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of germination in volatile phase at 393 umol/l measured at 20 degC after 5 days Sclerotinia sclerotiorum 66.7 %
Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of germination in volatile phase at 236 umol/l measured at 20 degC after 5 days Sclerotinia sclerotiorum 46.7 %
Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of germination in volatile phase at 79 umol/l measured at 20 degC after 5 days Sclerotinia sclerotiorum 26.7 %
Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of germination in volatile phase at 39 umol/l measured at 20 degC after 5 days Sclerotinia sclerotiorum 0.0 %
Antifungal activity against Rhizoctonia solani after 24 to 28 min by growth rate method Rhizoctonia solani 3.52 ug.mL-1
Antibacterial activity against Pectobacterium carotovorum after 12 hr by turbidometric analysis Pectobacterium carotovorum 41.65 ug.mL-1

Cross References

Resources Reference
ChEBI 85098
ChEMBL CHEMBL2251727
FDA SRS 3284MJ2T8P
PubChem 10966
SureChEMBL SCHEMBL287524
ZINC ZINC000001736702
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