Thiocoumarin

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H17NO2S
Molecular Weight	263.355
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Thiocoumarin

Structure Search

SMILES

CN(C)CCCOC1=CC(=O)SC2=C1C=CC=C2

InChI

InChIKey=DIOZFKOOIBATNZ-UHFFFAOYSA-N

InChI=1S/C14H17NO2S/c1-15(2)8-5-9-17-12-10-14(16)18-13-7-4-3-6-11(12)13/h3-4,6-7,10H,5,8-9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C14H17NO2S
Molecular Weight	263.355
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 16:59:01 GMT 2025` Edited by `admin` on `Tue Apr 01 16:59:01 GMT 2025`
Record UNII	CM773J3THB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2H-1-Benzopyran-2-thione

Preferred Name

English

Thiocoumarin

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20192911

Created by admin on Tue Apr 01 16:59:01 GMT 2025 , Edited by admin on Tue Apr 01 16:59:01 GMT 2025

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FDA UNII

CM773J3THB

Created by admin on Tue Apr 01 16:59:01 GMT 2025 , Edited by admin on Tue Apr 01 16:59:01 GMT 2025

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CAS

3986-98-9

Created by admin on Tue Apr 01 16:59:01 GMT 2025 , Edited by admin on Tue Apr 01 16:59:01 GMT 2025

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DRUG BANK

DB02462

Created by admin on Tue Apr 01 16:59:01 GMT 2025 , Edited by admin on Tue Apr 01 16:59:01 GMT 2025

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PUBCHEM

19890

Created by admin on Tue Apr 01 16:59:01 GMT 2025 , Edited by admin on Tue Apr 01 16:59:01 GMT 2025

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