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Structure
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| Relationships |
Total Number of functionally related protein(s) :
273
Total Number of Articles : 191
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| PubChem |
65036
|
| Molecular Formula |
C6H10OS2 |
| SMILES |
C=CCSS(=O)CC=C |
| InChI |
InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2 |
| synonyms |
- 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
- 2-Propene-1-sulfinothioic acid, S-2-propenyl ester
- DADSO
- S-Allyl acrylo-1-sulphinothioate
- 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
- diallyl disulfide-oxide
- C6H10OS2
- allylthiosulfinate
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| Properties |
| Property |
Value |
| MW |
162.3 g/mol |
| HBD |
0 |
| HBA |
3 |
| Rotatable Bond Count |
5 |
| Exact Mass |
162.01730729 g/mol |
| Monoisotopic Mass |
162.01730729 g/mol |
| Heavy Atom Count |
9 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
1 |
| Covalent Unit Count |
1 |
| Complexity |
120 |
| xlogp |
1.3 |
| Topological Polar Surface Area |
61.6 |
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