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Details

Stereochemistry RACEMIC
Molecular Formula C5H9NOS2
Molecular Weight 163.261
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of IBERIN

SMILES

C[S+]([O-])CCCN=C=S

InChI

InChIKey=LELAOEBVZLPXAZ-UHFFFAOYSA-N
InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula C5H9NOS2
Molecular Weight 163.261
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
RZ680L4LP3
Record Status Validated (UNII)
Record Version