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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)BUTANAL

SMILES

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

InChI

InChIKey=KOVPWECWUZGDHY-UHFFFAOYSA-N
InChI=1S/C9H12O2S/c1-7(3-5-10)12-9-4-6-11-8(9)2/h4-7H,3H2,1-2H3

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 Sat Dec 16 00:00:56 GMT 2023
Edited
by admin
on Sat Dec 16 00:00:56 GMT 2023
Record UNII
YW47186L5A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((2-METHYL-3-FURYL)THIO)BUTANAL
Systematic Name English
BUTANAL, 3-((2-METHYL-3-FURANYL)THIO)-
Systematic Name English
(±)-3-((2-METHYL-3-FURYL)THIO)BUTANAL
Systematic Name English
3-((2-METHYL-3-FURYL)SULFANYL)BUTANAL
Systematic Name English
3-((2-METHYL-3-FURANYL)THIO)BUTANAL
Systematic Name English
FEMA NO. 4501
Code English
METHYL THIOFURYL BUTANAL
Systematic Name English
3-((2-METHYL-3-FURYL)THIO)BUTANAL, (±)-
Systematic Name English
Code System Code Type Description
PUBCHEM
71587866
Created by admin on Sat Dec 16 00:00:56 GMT 2023 , Edited by admin on Sat Dec 16 00:00:56 GMT 2023
PRIMARY
CAS
915971-43-6
Created by admin on Sat Dec 16 00:00:56 GMT 2023 , Edited by admin on Sat Dec 16 00:00:56 GMT 2023
PRIMARY
FDA UNII
YW47186L5A
Created by admin on Sat Dec 16 00:00:56 GMT 2023 , Edited by admin on Sat Dec 16 00:00:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID10919634
Created by admin on Sat Dec 16 00:00:56 GMT 2023 , Edited by admin on Sat Dec 16 00:00:56 GMT 2023
PRIMARY
JECFA MONOGRAPH
2072
Created by admin on Sat Dec 16 00:00:56 GMT 2023 , Edited by admin on Sat Dec 16 00:00:56 GMT 2023
PRIMARY