U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C14H22O2S
Molecular Weight 254.388
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,6-DIMETHYL-3-((2-METHYL-3-FURYL)THIO)-4-HEPTANONE

SMILES

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

InChI

InChIKey=PFFLSEMCPNTWOY-UHFFFAOYSA-N
InChI=1S/C14H22O2S/c1-9(2)8-12(15)14(10(3)4)17-13-6-7-16-11(13)5/h6-7,9-10,14H,8H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C14H22O2S
Molecular Weight 254.388
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:54:41 GMT 2025
Edited
by admin
on Mon Mar 31 19:54:41 GMT 2025
Record UNII
72879F3Z2G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 3538
Preferred Name English
2,6-DIMETHYL-3-((2-METHYL-3-FURYL)THIO)-4-HEPTANONE
FHFI  
Systematic Name English
(±)-2,6-DIMETHYL-3-((2-METHYL-3-FURYL)THIO)-4-HEPTANONE
Systematic Name English
4-HEPTANONE, 2,6-DIMETHYL-3-((2-METHYL-3-FURANYL)THIO)-
Systematic Name English
1,3-DIISOPROPYLACETONYL 2-METHYL-3-FURYL SULFIDE
Systematic Name English
3-((2-METHYL-3-FURYL)THIO)-2,6-DIMETHYL-4-HEPTANONE
Systematic Name English
2,6-DIMETHYL-3-((2-METHYL-3-FURYL)THIO)-4-HEPTANONE [FHFI]
Common Name English
Code System Code Type Description
JECFA MONOGRAPH
1018
Created by admin on Mon Mar 31 19:54:41 GMT 2025 , Edited by admin on Mon Mar 31 19:54:41 GMT 2025
PRIMARY
CAS
61295-51-0
Created by admin on Mon Mar 31 19:54:41 GMT 2025 , Edited by admin on Mon Mar 31 19:54:41 GMT 2025
PRIMARY
FDA UNII
72879F3Z2G
Created by admin on Mon Mar 31 19:54:41 GMT 2025 , Edited by admin on Mon Mar 31 19:54:41 GMT 2025
PRIMARY
ECHA (EC/EINECS)
262-692-2
Created by admin on Mon Mar 31 19:54:41 GMT 2025 , Edited by admin on Mon Mar 31 19:54:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID20866847
Created by admin on Mon Mar 31 19:54:41 GMT 2025 , Edited by admin on Mon Mar 31 19:54:41 GMT 2025
PRIMARY
PUBCHEM
62183
Created by admin on Mon Mar 31 19:54:41 GMT 2025 , Edited by admin on Mon Mar 31 19:54:41 GMT 2025
PRIMARY