9-Oxo-9H-thioxanthene-3-carbonitrile

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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

Structure Search

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

Molecular Formula	C14H7NOS
Molecular Weight	237.276
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:14:08 GMT 2025` Edited by `admin` on `Tue Apr 01 19:14:08 GMT 2025`
Record UNII	8D4U6AC82L
Record Status	`Validated (UNII)`
Record Version

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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

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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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