1-(METHYLTHIO)-3-OCTANONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H18OS
Molecular Weight	174.304
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(METHYLTHIO)-3-OCTANONE

Structure Search

SMILES

CCCCCC(=O)CCSC

InChI

InChIKey=VBKCFHVICLIRLW-UHFFFAOYSA-N

InChI=1S/C9H18OS/c1-3-4-5-6-9(10)7-8-11-2/h3-8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H18OS
Molecular Weight	174.304
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 21:50:02 GMT 2025` Edited by `admin` on `Mon Mar 31 21:50:02 GMT 2025`
Record UNII	1Q30MEB85I
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-(METHYLTHIO)-3-OCTANONE

Systematic Name

English

J740.289I

Preferred Name

English

3-OCTANONE, 1-(METHYLTHIO)-

Systematic Name

English

Code System Code Type Description

FDA UNII

1Q30MEB85I

Created by admin on Mon Mar 31 21:50:03 GMT 2025 , Edited by admin on Mon Mar 31 21:50:03 GMT 2025

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EPA CompTox

DTXSID30336061

Created by admin on Mon Mar 31 21:50:03 GMT 2025 , Edited by admin on Mon Mar 31 21:50:03 GMT 2025

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PUBCHEM

528762

Created by admin on Mon Mar 31 21:50:03 GMT 2025 , Edited by admin on Mon Mar 31 21:50:03 GMT 2025

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JECFA MONOGRAPH

2063

Created by admin on Mon Mar 31 21:50:03 GMT 2025 , Edited by admin on Mon Mar 31 21:50:03 GMT 2025

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CAS

61837-77-2

Created by admin on Mon Mar 31 21:50:03 GMT 2025 , Edited by admin on Mon Mar 31 21:50:03 GMT 2025

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