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Details

Stereochemistry RACEMIC
Molecular Formula C8H14O2S2.C2H8N2
Molecular Weight 266.424
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYLENEDIAMINE THIOCTATE

SMILES

NCCN.OC(=O)CCCCC1CCSS1

InChI

InChIKey=DHGXQOVAVZUVPZ-UHFFFAOYSA-N
InChI=1S/C8H14O2S2.C2H8N2/c9-8(10)4-2-1-3-7-5-6-11-12-7;3-1-2-4/h7H,1-6H2,(H,9,10);1-4H2

HIDE SMILES / InChI

Molecular Formula C8H14O2S2
Molecular Weight 206.326
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula C2H8N2
Molecular Weight 60.0983
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
3G98348KML
Record Status Validated (UNII)
Record Version