U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C14H7NOS
Molecular Weight 237.276
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-Oxo-9H-thioxanthene-3-carbonitrile

SMILES

O=C1C2=C(SC3=C1C=CC(=C3)C#N)C=CC=C2

InChI

InChIKey=PEKGWSOIIJWWKO-UHFFFAOYSA-N
InChI=1S/C14H7NOS/c15-8-9-5-6-11-13(7-9)17-12-4-2-1-3-10(12)14(11)16/h1-7H

HIDE SMILES / InChI

Approval Year

Name Type Language
9H-Thioxanthene-3-carbonitrile, 9-oxo-
Preferred Name English
9-Oxo-9H-thioxanthene-3-carbonitrile
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
257-394-4
Created by admin on Tue Apr 01 19:14:08 GMT 2025 , Edited by admin on Tue Apr 01 19:14:08 GMT 2025
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CAS
51762-90-4
Created by admin on Tue Apr 01 19:14:08 GMT 2025 , Edited by admin on Tue Apr 01 19:14:08 GMT 2025
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FDA UNII
8D4U6AC82L
Created by admin on Tue Apr 01 19:14:08 GMT 2025 , Edited by admin on Tue Apr 01 19:14:08 GMT 2025
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PUBCHEM
103956
Created by admin on Tue Apr 01 19:14:08 GMT 2025 , Edited by admin on Tue Apr 01 19:14:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID50199690
Created by admin on Tue Apr 01 19:14:08 GMT 2025 , Edited by admin on Tue Apr 01 19:14:08 GMT 2025
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