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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
The biosynthesis of the aroma volatile 2-methyltetrahydrothiophen-3-one in the bacterium Chitinophaga Fx7914.
2010-09-03
Production of volatile organic compounds (VOCs) by yeasts isolated from the ascocarps of black (Tuber melanosporum Vitt.) and white (Tuber magnatum Pico) truffles.
2005-11
Alcohols, esters and heavy sulphur compounds production by pure and mixed cultures of apiculate wine yeasts.
2005-09-15
GC-olfactometric characterization of aroma volatiles from the thermal degradation of thiamin in model orange juice.
2003-05-07
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:57:05 GMT 2025
Edited
by admin
on Mon Mar 31 19:57:05 GMT 2025
Record UNII
TN0FKW9W4K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 3512
Preferred Name English
2-METHYLTETRAHYDROTHIOPHEN-3-ONE
FHFI  
Systematic Name English
DIHYDRO-2-METHYL-3(2H)-THIOPHENONE
Systematic Name English
2-METHYLTETRAHYDROTHIOPHEN-3-ONE, (±)-
Systematic Name 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 Mon Mar 31 19:57:05 GMT 2025 , Edited by admin on Mon Mar 31 19:57:05 GMT 2025
PRIMARY
ECHA (EC/EINECS)
237-183-3
Created by admin on Mon Mar 31 19:57:05 GMT 2025 , Edited by admin on Mon Mar 31 19:57:05 GMT 2025
PRIMARY
JECFA MONOGRAPH
118
Created by admin on Mon Mar 31 19:57:05 GMT 2025 , Edited by admin on Mon Mar 31 19:57:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID60864428
Created by admin on Mon Mar 31 19:57:05 GMT 2025 , Edited by admin on Mon Mar 31 19:57:05 GMT 2025
PRIMARY
CHEBI
87506
Created by admin on Mon Mar 31 19:57:05 GMT 2025 , Edited by admin on Mon Mar 31 19:57:05 GMT 2025
PRIMARY
FDA UNII
TN0FKW9W4K
Created by admin on Mon Mar 31 19:57:05 GMT 2025 , Edited by admin on Mon Mar 31 19:57:05 GMT 2025
PRIMARY
PUBCHEM
61664
Created by admin on Mon Mar 31 19:57:05 GMT 2025 , Edited by admin on Mon Mar 31 19:57:05 GMT 2025
PRIMARY