(Q27159944)

Ethionamide Sulfoxide (English)

9 October 2016

chemical formula

C₈H₁₀N₂OS

1 reference

Ethionamide Sulfoxide (English)

9 October 2016

canonical SMILES

CCC1=NC=CC(=C1)C(=S=O)N

1 reference

Ethionamide Sulfoxide (English)

9 October 2016

isomeric SMILES

CCC1=CC(=CC=N1)/C(=[S+]/[O-])/N

1 reference

(Z)-[Amino(2-ethyl-4-pyridinyl)methylene]sulfoniumolate (English)

InChI=1S/C8H10N2OS/c1-2-7-5-6(3-4-10-7)8(9)12-11/h3-5H,2,9H2,1H3

9 October 2016

Identifiers

InChI

1 reference

Ethionamide Sulfoxide (English)

9 October 2016

2 references

Ethionamide Sulfoxide (English)

9 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

536-28-7

1 reference

https://commonchemistry.cas.org/detail?cas_rn=536-28-7

9 April 2021

1 reference

(Z)-[Amino(2-ethyl-4-pyridinyl)methylene]sulfoniumolate (English)

9 October 2016

2 references

Ethionamide Sulfoxide (English)

9 October 2016

Reaxys registry number

472920

1 reference

ethionamide S-oxide (English)

9 October 2016

ChEBI ID

87805

mapping relation type

2 references

ethionamide S-oxide (English)

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C8H10N2OS/c1-2-7-5-6(3-4-10-7)8(9)12-11/h3-5H,2,9H2,1H3

1 reference

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID30698479

0 references

Human Metabolome Database ID

HMDB0060624

2 references

based on heuristic

inferred from InChIKey

UNII

VV9H2DV35Y

1 reference