TIOCTILATE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H22OS
Molecular Weight	250.4
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TIOCTILATE

Structure Search

SMILES

CCCCCCCCSC(=O)C1=CC=CC=C1

InChI

InChIKey=RBWOKKSOBWYZQH-UHFFFAOYSA-N

InChI=1S/C15H22OS/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3

HIDE SMILES / InChI

Molecular Formula	C15H22OS
Molecular Weight	250.4
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 `Fri Dec 15 15:30:43 UTC 2023` Edited by `admin` on `Fri Dec 15 15:30:43 UTC 2023`
Record UNII	7JEE2JF5OB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TIOCTILATE

Official Name

English

tioctilate [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C737

Created by admin on Fri Dec 15 15:30:43 UTC 2023 , Edited by admin on Fri Dec 15 15:30:43 UTC 2023

Code System Code Type Description

FDA UNII

7JEE2JF5OB

Created by admin on Fri Dec 15 15:30:43 UTC 2023 , Edited by admin on Fri Dec 15 15:30:43 UTC 2023

PRIMARY

ECHA (EC/EINECS)

234-012-4

Created by admin on Fri Dec 15 15:30:43 UTC 2023 , Edited by admin on Fri Dec 15 15:30:43 UTC 2023

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SMS_ID

100000077229

Created by admin on Fri Dec 15 15:30:43 UTC 2023 , Edited by admin on Fri Dec 15 15:30:43 UTC 2023

PRIMARY

INN

4132

Created by admin on Fri Dec 15 15:30:43 UTC 2023 , Edited by admin on Fri Dec 15 15:30:43 UTC 2023

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EPA CompTox

DTXSID30146804

Created by admin on Fri Dec 15 15:30:43 UTC 2023 , Edited by admin on Fri Dec 15 15:30:43 UTC 2023

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EVMPD

SUB11081MIG

Created by admin on Fri Dec 15 15:30:43 UTC 2023 , Edited by admin on Fri Dec 15 15:30:43 UTC 2023

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NCI_THESAURUS

C76881

Created by admin on Fri Dec 15 15:30:43 UTC 2023 , Edited by admin on Fri Dec 15 15:30:43 UTC 2023

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MESH

C019577

Created by admin on Fri Dec 15 15:30:43 UTC 2023 , Edited by admin on Fri Dec 15 15:30:43 UTC 2023

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CAS

10489-23-3

Created by admin on Fri Dec 15 15:30:43 UTC 2023 , Edited by admin on Fri Dec 15 15:30:43 UTC 2023

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ChEMBL

CHEMBL2105386

Created by admin on Fri Dec 15 15:30:43 UTC 2023 , Edited by admin on Fri Dec 15 15:30:43 UTC 2023

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PUBCHEM

65602

Created by admin on Fri Dec 15 15:30:43 UTC 2023 , Edited by admin on Fri Dec 15 15:30:43 UTC 2023

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Related Record Type Details


					7JEE2JF5OB

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