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Details

Stereochemistry RACEMIC
Molecular Formula C5H8OS
Molecular Weight 116.181
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYLTETRAHYDROTHIOPHEN-3-ONE

SMILES

CC1SCCC1=O

InChI

InChIKey=YMZZPMVKABUEBL-UHFFFAOYSA-N
InChI=1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula C5H8OS
Molecular Weight 116.181
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
GC-olfactometric characterization of aroma volatiles from the thermal degradation of thiamin in model orange juice.
2003 May 7
Production of volatile organic compounds (VOCs) by yeasts isolated from the ascocarps of black (Tuber melanosporum Vitt.) and white (Tuber magnatum Pico) truffles.
2005 Nov
Alcohols, esters and heavy sulphur compounds production by pure and mixed cultures of apiculate wine yeasts.
2005 Sep 15
The biosynthesis of the aroma volatile 2-methyltetrahydrothiophen-3-one in the bacterium Chitinophaga Fx7914.
2010 Sep 3
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:47:32 GMT 2023
Edited
by admin
on Fri Dec 15 19:47:32 GMT 2023
Record UNII
TN0FKW9W4K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYLTETRAHYDROTHIOPHEN-3-ONE
FHFI  
Systematic Name English
DIHYDRO-2-METHYL-3(2H)-THIOPHENONE
Systematic Name English
2-METHYLTETRAHYDROTHIOPHEN-3-ONE, (±)-
Systematic Name English
FEMA NO. 3512
Code English
3(2H)-THIOPHENONE, DIHYDRO-2-METHYL-
Systematic Name English
2-METHYL-3-OXOTETRAHYDROTHIOPHENE
Systematic Name English
DIHYDRO-2-METHYL-3-THIOPHENONE
Systematic Name English
(±)-2-METHYLTETRAHYDROTHIOPHEN-3-ONE
Systematic Name English
2-METHYLTHIOPHAN-3-ONE
Common Name English
2-METHYL-4,5-DIHYDRO-3(2H)-THIOPHENONE
Systematic Name English
2-METHYLTHIOLAN-3-ONE
Systematic Name English
BLACKBERRY THIOPHENONE
Common Name English
2-METHYLTETRAHYDROTHIOPHEN-3-ONE [FHFI]
Common Name English
Code System Code Type Description
CAS
13679-85-1
Created by admin on Fri Dec 15 19:47:32 GMT 2023 , Edited by admin on Fri Dec 15 19:47:32 GMT 2023
PRIMARY
ECHA (EC/EINECS)
237-183-3
Created by admin on Fri Dec 15 19:47:32 GMT 2023 , Edited by admin on Fri Dec 15 19:47:32 GMT 2023
PRIMARY
JECFA MONOGRAPH
118
Created by admin on Fri Dec 15 19:47:32 GMT 2023 , Edited by admin on Fri Dec 15 19:47:32 GMT 2023
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EPA CompTox
DTXSID60864428
Created by admin on Fri Dec 15 19:47:32 GMT 2023 , Edited by admin on Fri Dec 15 19:47:32 GMT 2023
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CHEBI
87506
Created by admin on Fri Dec 15 19:47:32 GMT 2023 , Edited by admin on Fri Dec 15 19:47:32 GMT 2023
PRIMARY
FDA UNII
TN0FKW9W4K
Created by admin on Fri Dec 15 19:47:32 GMT 2023 , Edited by admin on Fri Dec 15 19:47:32 GMT 2023
PRIMARY
PUBCHEM
61664
Created by admin on Fri Dec 15 19:47:32 GMT 2023 , Edited by admin on Fri Dec 15 19:47:32 GMT 2023
PRIMARY