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Details

Stereochemistry ACHIRAL
Molecular Formula C6H10OS
Molecular Weight 130.208
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-((METHYLTHIO)METHYL)-2-BUTENAL

SMILES

CSC\C(C=O)=C/C

InChI

InChIKey=IBSLHWQWKUNIJE-UTCJRWHESA-N
InChI=1S/C6H10OS/c1-3-6(4-7)5-8-2/h3-4H,5H2,1-2H3/b6-3-

HIDE SMILES / InChI

Molecular Formula C6H10OS
Molecular Weight 130.208
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 Fri Dec 15 18:59:41 GMT 2023
Edited
by admin
on Fri Dec 15 18:59:41 GMT 2023
Record UNII
L3MY5L63PW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((METHYLTHIO)METHYL)-2-BUTENAL
Systematic Name English
2-(METHYLTHIO) METHYL-2-BUTENAL [FHFI]
Common Name English
FEMA NO. 3601
Code English
2-BUTENAL, 2-((METHYLTHIO)METHYL)-
Systematic Name English
2-(METHYL THIO) METHYL-2-BUTENAL
Systematic Name English
Code System Code Type Description
JECFA MONOGRAPH
529
Created by admin on Fri Dec 15 18:59:41 GMT 2023 , Edited by admin on Fri Dec 15 18:59:41 GMT 2023
PRIMARY
CAS
40878-72-6
Created by admin on Fri Dec 15 18:59:41 GMT 2023 , Edited by admin on Fri Dec 15 18:59:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID00866022
Created by admin on Fri Dec 15 18:59:41 GMT 2023 , Edited by admin on Fri Dec 15 18:59:41 GMT 2023
PRIMARY
PUBCHEM
6435925
Created by admin on Fri Dec 15 18:59:41 GMT 2023 , Edited by admin on Fri Dec 15 18:59:41 GMT 2023
PRIMARY
FDA UNII
L3MY5L63PW
Created by admin on Fri Dec 15 18:59:41 GMT 2023 , Edited by admin on Fri Dec 15 18:59:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
255-126-0
Created by admin on Fri Dec 15 18:59:41 GMT 2023 , Edited by admin on Fri Dec 15 18:59:41 GMT 2023
PRIMARY