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Details

Stereochemistry RACEMIC
Molecular Formula C9H12O2S
Molecular Weight 184.255
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((2-METHYL-3-FURYL)THIO)-2-BUTANONE

SMILES

CC(SC1=C(C)OC=C1)C(C)=O

InChI

InChIKey=AOEYNSLUBHRZPA-UHFFFAOYSA-N
InChI=1S/C9H12O2S/c1-6(10)8(3)12-9-4-5-11-7(9)2/h4-5,8H,1-3H3

HIDE SMILES / InChI

Molecular Formula C9H12O2S
Molecular Weight 184.255
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:38:50 GMT 2023
Edited
by admin
on Fri Dec 15 20:38:50 GMT 2023
Record UNII
9R89X7164W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((2-METHYL-3-FURYL)THIO)-2-BUTANONE
Systematic Name English
2-BUTANONE, 3-((2-METHYL-3-FURANYL)THIO)-
Systematic Name English
FEMA NO. 4056
Code English
3-(2-METHYL-3-FURYLTHIO)-2-BUTANONE
Systematic Name English
(±)-3-((2-METHYL-3-FURYL)THIO)-2-BUTANONE [FHFI]
Common Name English
3-((2-METHYL-3-FURANYL)SULFANYL)-2-BUTANONE
Systematic Name English
3-((2-METHYL-3-FURYL)SULFANYL0BUTAN-2-ONE
Common Name English
3-((2-METHYL-3-FURYL)THIO)-2-BUTANONE, (±)-
Systematic Name English
3-((2-METHYL-3-FURYL)SULFANYL)-2-BUTANONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90976780
Created by admin on Fri Dec 15 20:38:50 GMT 2023 , Edited by admin on Fri Dec 15 20:38:50 GMT 2023
PRIMARY
CAS
61295-44-1
Created by admin on Fri Dec 15 20:38:50 GMT 2023 , Edited by admin on Fri Dec 15 20:38:50 GMT 2023
PRIMARY
JECFA MONOGRAPH
1516
Created by admin on Fri Dec 15 20:38:50 GMT 2023 , Edited by admin on Fri Dec 15 20:38:50 GMT 2023
PRIMARY
PUBCHEM
12980878
Created by admin on Fri Dec 15 20:38:50 GMT 2023 , Edited by admin on Fri Dec 15 20:38:50 GMT 2023
PRIMARY
FDA UNII
9R89X7164W
Created by admin on Fri Dec 15 20:38:50 GMT 2023 , Edited by admin on Fri Dec 15 20:38:50 GMT 2023
PRIMARY