3-(OCTYLTHIO)PROPANENITRILE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H21NS
Molecular Weight	199.356
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(OCTYLTHIO)PROPANENITRILE

Structure Search

SMILES

CCCCCCCCSCCC#N

InChI

InChIKey=JBJSMCQYMGAWDZ-UHFFFAOYSA-N

InChI=1S/C11H21NS/c1-2-3-4-5-6-7-10-13-11-8-9-12/h2-8,10-11H2,1H3

HIDE SMILES / InChI

Molecular Formula	C11H21NS
Molecular Weight	199.356
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 `Mon Mar 31 21:08:32 GMT 2025` Edited by `admin` on `Mon Mar 31 21:08:32 GMT 2025`
Record UNII	3AL779JDTA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(OCTYLTHIO)PROPANENITRILE

Systematic Name

English

NSC-63053

Preferred Name

English

1-(2-CYANOETHYLTHIO)OCTANE

Systematic Name

English

3-(OCTYLTHIO)PROPIONITRILE

Systematic Name

English

PROPANENITRILE, 3-(OCTYLTHIO)-

Systematic Name

English

Code System Code Type Description

NSC

63053

Created by admin on Mon Mar 31 21:08:32 GMT 2025 , Edited by admin on Mon Mar 31 21:08:32 GMT 2025

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CAS

35652-59-6

Created by admin on Mon Mar 31 21:08:32 GMT 2025 , Edited by admin on Mon Mar 31 21:08:32 GMT 2025

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PUBCHEM

247772

Created by admin on Mon Mar 31 21:08:32 GMT 2025 , Edited by admin on Mon Mar 31 21:08:32 GMT 2025

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EPA CompTox

DTXSID40289711

Created by admin on Mon Mar 31 21:08:32 GMT 2025 , Edited by admin on Mon Mar 31 21:08:32 GMT 2025

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FDA UNII

3AL779JDTA

Created by admin on Mon Mar 31 21:08:32 GMT 2025 , Edited by admin on Mon Mar 31 21:08:32 GMT 2025

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