Phytochemical: (Z)-1-[(S)-prop-2-enylsulfinyl]sulfanylprop-1-ene

Connections displayed (default: 10).

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Prediction Swissadme	0.0
Topological Polar Surface Area	61.6
Hydrogen Bond Donor Count	0.0
Inchi Key	UALJWNWDDJRJTL-LVCFMKKZSA-N
Fcsp3	0.3333333333333333
Rotatable Bond Count	4.0
Heavy Atom Count	9.0
Compound Name	(Z)-1-[(S)-prop-2-enylsulfinyl]sulfanylprop-1-ene
Prediction Hob Swissadme	0.0
Exact Mass	162.017
Formal Charge	0.0
Monoisotopic Mass	162.017
Isotope Atom Count	0.0
Molecular Complexity	129.0
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	162.3
Database Name	cmaup_ingredients;pubchem
Covalent Unit Count	1.0
Defined Atom Stereocenter Count	1.0
Iupac Name	(Z)-1-[(S)-prop-2-enylsulfinyl]sulfanylprop-1-ene
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	1.0
Prediction Hob	1.0
Esol	-1.4578297999999996
Inchi	InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-5H,2,6H2,1H3/b5-3-/t9-/m0/s1
Smiles	C/C=C\S[S@](=O)CC=C
Xlogp	1.4
Defined Bond Stereocenter Count	1.0
Molecular Formula	C6H10OS2

1. Outgoing r'ship FOUND_IN to/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients
2. Outgoing r'ship FOUND_IN to/from Aniba Megaphylla (Plant) Rel Props:Source_db:cmaup_ingredients
3. Outgoing r'ship FOUND_IN to/from Berberis Integerrima (Plant) Rel Props:Source_db:cmaup_ingredients
4. Outgoing r'ship FOUND_IN to/from Elephantopus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients
5. Outgoing r'ship FOUND_IN to/from Isoplexis Sceptrum (Plant) Rel Props:Source_db:cmaup_ingredients
6. Outgoing r'ship FOUND_IN to/from Libocedrus Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients
7. Outgoing r'ship FOUND_IN to/from Loranthus Parasiticus (Plant) Rel Props:Source_db:cmaup_ingredients
8. Outgoing r'ship FOUND_IN to/from Sarcocephalus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients

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