5-METHYL-2-(METHYLTHIOMETHYL)-2-HEXENAL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H16OS
Molecular Weight	172.288
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 5-METHYL-2-(METHYLTHIOMETHYL)-2-HEXENAL

Structure Search

SMILES

CSC\C(C=O)=C\CC(C)C

InChI

InChIKey=FHZUYUPNOHOVIC-WEVVVXLNSA-N

InChI=1S/C9H16OS/c1-8(2)4-5-9(6-10)7-11-3/h5-6,8H,4,7H2,1-3H3/b9-5+

HIDE SMILES / InChI

Molecular Formula	C9H16OS
Molecular Weight	172.288
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:32:21 GMT 2025` Edited by `admin` on `Mon Mar 31 20:32:21 GMT 2025`
Record UNII	709DSH95S8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FEMA NO. 4567

Preferred Name

English

5-METHYL-2-(METHYLTHIOMETHYL)-2-HEXENAL

Systematic Name

English

5-METHYL-2-((METHYLSULFANYL)-METHYL)HEX-2-ENAL

Systematic Name

English

2-HEXENAL, 5-METHYL-2-((METHYLTHIO)METHYL)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30234614

Created by admin on Mon Mar 31 20:32:21 GMT 2025 , Edited by admin on Mon Mar 31 20:32:21 GMT 2025

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CAS

85407-25-6

Created by admin on Mon Mar 31 20:32:21 GMT 2025 , Edited by admin on Mon Mar 31 20:32:21 GMT 2025

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PUBCHEM

21999737

Created by admin on Mon Mar 31 20:32:21 GMT 2025 , Edited by admin on Mon Mar 31 20:32:21 GMT 2025

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JECFA MONOGRAPH

1898

Created by admin on Mon Mar 31 20:32:21 GMT 2025 , Edited by admin on Mon Mar 31 20:32:21 GMT 2025

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FDA UNII

709DSH95S8

Created by admin on Mon Mar 31 20:32:21 GMT 2025 , Edited by admin on Mon Mar 31 20:32:21 GMT 2025

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