3-(Octylthio)propionic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H22O2S
Molecular Weight	218.356
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(Octylthio)propionic acid

Structure Search

SMILES

CCCCCCCCSCCC(O)=O

InChI

InChIKey=OIXUWMYLRUBAHK-UHFFFAOYSA-N

InChI=1S/C11H22O2S/c1-2-3-4-5-6-7-9-14-10-8-11(12)13/h2-10H2,1H3,(H,12,13)

HIDE SMILES / InChI

Molecular Formula	C11H22O2S
Molecular Weight	218.356
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 17:37:00 GMT 2025` Edited by `admin` on `Tue Apr 01 17:37:00 GMT 2025`
Record UNII	FVE3546HJ6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(Octylthio)propionic acid

Systematic Name

English

NSC-66313

Preferred Name

English

3-(Octylthio)propanoic acid

Systematic Name

English

Propanoic acid, 3-(octylthio)-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

230-167-7

Created by admin on Tue Apr 01 17:37:00 GMT 2025 , Edited by admin on Tue Apr 01 17:37:00 GMT 2025

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EPA CompTox

DTXSID7064524

Created by admin on Tue Apr 01 17:37:00 GMT 2025 , Edited by admin on Tue Apr 01 17:37:00 GMT 2025

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PUBCHEM

81416

Created by admin on Tue Apr 01 17:37:00 GMT 2025 , Edited by admin on Tue Apr 01 17:37:00 GMT 2025

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NSC

66313

Created by admin on Tue Apr 01 17:37:00 GMT 2025 , Edited by admin on Tue Apr 01 17:37:00 GMT 2025

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FDA UNII

FVE3546HJ6

Created by admin on Tue Apr 01 17:37:00 GMT 2025 , Edited by admin on Tue Apr 01 17:37:00 GMT 2025

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CAS

6964-23-4

Created by admin on Tue Apr 01 17:37:00 GMT 2025 , Edited by admin on Tue Apr 01 17:37:00 GMT 2025

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