U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C14H4N2O2S2
Molecular Weight 296.324
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DITHIANON

SMILES

O=C1C2=C(SC(C#N)=C(S2)C#N)C(=O)C3=C1C=CC=C3

InChI

InChIKey=PYZSVQVRHDXQSL-UHFFFAOYSA-N
InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H

HIDE SMILES / InChI

Molecular Formula C14H4N2O2S2
Molecular Weight 296.324
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

PubMed

Substance Class Chemical
Record UNII
3ESS44NI1F
Record Status Validated (UNII)
Record Version