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Details

Stereochemistry RACEMIC
Molecular Formula C6H10OS2
Molecular Weight 162.273
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLICIN

SMILES

[O-][S+](CC=C)SCC=C

InChI

InChIKey=JDLKFOPOAOFWQN-UHFFFAOYSA-N
InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2

HIDE SMILES / InChI

Molecular Formula C6H10OS2
Molecular Weight 162.273
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:14:17 UTC 2023
Edited
by admin
on Fri Dec 15 18:14:17 UTC 2023
Record UNII
3C39BY17Y6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALLICIN
MI   WHO-DD  
Systematic Name English
ALLICIN [MI]
Common Name English
Allicin [WHO-DD]
Common Name English
S-2-PROPEN-1-YL 2-PROPENE-1-SULFINOTHIOATE
Systematic Name English
ALLICIN (CONSTITUENT OF GARLIC) [DSC]
Common Name English
S-ALLYL PROP-2-ENE-1-SULFINOTHIOATE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C68520
Created by admin on Fri Dec 15 18:14:17 UTC 2023 , Edited by admin on Fri Dec 15 18:14:17 UTC 2023
DSLD 2437 (Number of products:54)
Created by admin on Fri Dec 15 18:14:17 UTC 2023 , Edited by admin on Fri Dec 15 18:14:17 UTC 2023
Code System Code Type Description
FDA UNII
3C39BY17Y6
Created by admin on Fri Dec 15 18:14:17 UTC 2023 , Edited by admin on Fri Dec 15 18:14:17 UTC 2023
PRIMARY
CHEBI
28411
Created by admin on Fri Dec 15 18:14:17 UTC 2023 , Edited by admin on Fri Dec 15 18:14:17 UTC 2023
PRIMARY
EPA CompTox
DTXSID6043707
Created by admin on Fri Dec 15 18:14:17 UTC 2023 , Edited by admin on Fri Dec 15 18:14:17 UTC 2023
PRIMARY
NCI_THESAURUS
C68521
Created by admin on Fri Dec 15 18:14:17 UTC 2023 , Edited by admin on Fri Dec 15 18:14:17 UTC 2023
PRIMARY
MESH
C006452
Created by admin on Fri Dec 15 18:14:17 UTC 2023 , Edited by admin on Fri Dec 15 18:14:17 UTC 2023
PRIMARY
MERCK INDEX
m1523
Created by admin on Fri Dec 15 18:14:17 UTC 2023 , Edited by admin on Fri Dec 15 18:14:17 UTC 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
208-727-7
Created by admin on Fri Dec 15 18:14:17 UTC 2023 , Edited by admin on Fri Dec 15 18:14:17 UTC 2023
PRIMARY
DRUG BANK
DB11780
Created by admin on Fri Dec 15 18:14:17 UTC 2023 , Edited by admin on Fri Dec 15 18:14:17 UTC 2023
PRIMARY
CAS
539-86-6
Created by admin on Fri Dec 15 18:14:17 UTC 2023 , Edited by admin on Fri Dec 15 18:14:17 UTC 2023
PRIMARY
SMS_ID
100000127530
Created by admin on Fri Dec 15 18:14:17 UTC 2023 , Edited by admin on Fri Dec 15 18:14:17 UTC 2023
PRIMARY
WIKIPEDIA
ALLICIN
Created by admin on Fri Dec 15 18:14:17 UTC 2023 , Edited by admin on Fri Dec 15 18:14:17 UTC 2023
PRIMARY
EVMPD
SUB33584
Created by admin on Fri Dec 15 18:14:17 UTC 2023 , Edited by admin on Fri Dec 15 18:14:17 UTC 2023
PRIMARY
PUBCHEM
65036
Created by admin on Fri Dec 15 18:14:17 UTC 2023 , Edited by admin on Fri Dec 15 18:14:17 UTC 2023
PRIMARY
ALANWOOD
allicin
Created by admin on Fri Dec 15 18:14:17 UTC 2023 , Edited by admin on Fri Dec 15 18:14:17 UTC 2023
PRIMARY
Related Record Type Details
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