PDND
Phytochemical Database for Neurological Disorders
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Phytochemical Name : Allicin
PCNDIDA0054
Pubchem CID : 65036
Molecular formula: C6H10OS2

Molecular weight : 162.300

Canonical SMILES : C=CCSS(=O)CC=C

Synonymes : Allicin|539-86-6|Diallyl thiosulfinate|S-allyl prop-2-ene-1-sulfinothioate|Diallyldisulfid-S-oxid|Thio-2-propene-1-sulfinic acid S-allyl ester|Allylthiosulphinic acid allyl ester|DADSO|S-Allyl acrylo-1-sulphinothioate|2-Propene-1-sulfinothioic acid, S-2-propenyl ester|diallyl disulfide-oxide|C6H10OS2|CCRIS 9053|S-allyl 2-propene-1-sulfinothioate|EINECS 208-727-7|UNII-3C39BY17Y6|BRN 1752823|3-prop-2-enylsulfinylsulfanylprop-1-ene|2-Propene-1-sulfinothioic acid S-2-propenyl ester|CHEBI:28411|3C39BY17Y6|2-Propene-1-sulfinic acid, thio-, S-allyl ester|CHEMBL359965|DTXSID6043707|3-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene|4-04-00-00007 (Beilstein Handbook Reference)|S-prop-2-en-1-yl prop-2-ene-1-sulfinothioate|S-2-PROPEN-1-YL 2-PROPENE-1-SULFINOTHIOATE|allimin|allylthiosulfinate|Allicin kit|3-allylsulfinylsulfanylprop-1-ene|ALLTRIDE|Allicin, tech. grade|Diallyldisulfid-S-oxide|Allicin (not validated)|Dianyctrsnlgide;Allisatin|ALLICIN [MI]|ALLICIN [WHO-DD]|D0X9YD|ALLICIN(TECH GRADE)|SCHEMBL2920|Allicin (Allyl-S(O)S-Allyl)|GTPL2419|2-Propene-1-sulfinothioic Acid S-2-Propen-1-yl Ester|DTXCID4023707|3-allylsulfinylsulfanyl-prop-1-ene|BCP08391|HY-N0315|BDBM50240948|MFCD00468100|NSC707388|s3860|4,5-Dithia-1,7-octadiene 4-oxide|AKOS006282482|ALLICIN (CONSTITUENT OF GARLIC)|CCG-266298|DB11780|FD10435|NSC-707388|3-(prop-2-enylsulfinylthio)-1-propene|AC-34150|XA162045|XA176305|LS-123525|CS-0008813|FT-0621982|ALLICIN (CONSTITUENT OF GARLIC) [DSC]|C07600|EN300-217463|S-2-Propenyl 2-propene-1-sulfinothioate, 9CI|A829889|Q409641|Q-200609|2-Propene-1-sulfinothioic acid, S-2-propenyl ester (9CI)|Diallyl thiosulfinate and Allylthiosulphinic acid allyl ester|Diallyldisulfid-S-oxid, 3-prop-2-enylsulfinylsulfanylprop-1-ene

Structure
3D structure 2D structure
65036
Predicted properties (NCBI Pubchem)

Physicochemical Properties