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Details

Stereochemistry RACEMIC
Molecular Formula C9H16OS
Molecular Weight 172.288
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYL-2-(METHYLTHIOMETHYL)-2-HEXENAL

SMILES

CCC(C)\C=C(\CSC)C=O

InChI

InChIKey=GQFPHBQLLUTFPC-WEVVVXLNSA-N
InChI=1S/C9H16OS/c1-4-8(2)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 RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:41:06 GMT 2025
Edited
by admin
on Mon Mar 31 20:41:06 GMT 2025
Record UNII
2W7IW92688
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 4566
Preferred Name English
4-METHYL-2-(METHYLTHIOMETHYL)-2-HEXENAL
Systematic Name English
4-METHYL-2-(METHYLTHIOMETHYL)-2-HEXENAL, (±)-
Systematic Name English
4-METHYL-2-((METHYLSULFANYL)-METHYL)HEX-2-ENAL
Systematic Name English
(±)-4-METHYL-2-(METHYLTHIOMETHYL)-2-HEXENAL
Systematic Name English
2-HEXENAL, 4-METHYL-2-((METHYLTHIO)METHYL)-
Systematic Name English
Code System Code Type Description
JECFA MONOGRAPH
1897
Created by admin on Mon Mar 31 20:41:06 GMT 2025 , Edited by admin on Mon Mar 31 20:41:06 GMT 2025
PRIMARY
PUBCHEM
71587376
Created by admin on Mon Mar 31 20:41:06 GMT 2025 , Edited by admin on Mon Mar 31 20:41:06 GMT 2025
PRIMARY
FDA UNII
2W7IW92688
Created by admin on Mon Mar 31 20:41:06 GMT 2025 , Edited by admin on Mon Mar 31 20:41:06 GMT 2025
PRIMARY
CAS
99910-84-6
Created by admin on Mon Mar 31 20:41:06 GMT 2025 , Edited by admin on Mon Mar 31 20:41:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID00912391
Created by admin on Mon Mar 31 20:41:06 GMT 2025 , Edited by admin on Mon Mar 31 20:41:06 GMT 2025
PRIMARY