(Z)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfonylprop-1-ene

C9H14O2S3 — CID 88657773

IUPAC(Z)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfonylprop-1-ene
SMILESC=CCSS/C=C\CS(=O)(=O)CC=C
InChIInChI=1S/C9H14O2S3/c1-3-6-12-13-7-5-9-14(10,11)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5-
InChIKeyOBJCYMGLWKMJIK-ALCCZGGFSA-N
MW250.41 g/mol
LogP2.67
Rot. Bonds8

About (Z)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfonylprop-1-ene

(Z)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfonylprop-1-ene (PubChem CID 88657773) has the molecular formula C9H14O2S3 and a molecular weight of 250.41 g/mol. Its IUPAC name is (Z)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfonylprop-1-ene.

Molecular Properties

Compound Name(Z)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfonylprop-1-ene
PubChem CID88657773
Molecular FormulaC9H14O2S3
Molecular Weight250.41 g/mol
Exact Mass250.02
IUPAC Name(Z)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfonylprop-1-ene
SMILESC=CCSS/C=C\CS(=O)(=O)CC=C
InChIInChI=1S/C9H14O2S3/c1-3-6-12-13-7-5-9-14(10,11)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5-
InChIKeyOBJCYMGLWKMJIK-ALCCZGGFSA-N
XLogP2.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ajoene
CID 5386591
(Z)-Ajoene
CID 9881148
3-Methanesulfonylprop-1-ene
CID 140048
S-2-Propenyl 2-propene-1-sulfonothioate
CID 85776791
Diallyl sulfone
CID 159797
3-(Ethylsulphonyl)-1-propene
CID 141864
4,5,9-Trithiadodeca-1,6,11-triene 9-oxide
CID 72373
Butane, 1-((3-(2-propenylsulfinyl)-1-propenyl)sulfinyl)-
CID 6449028
Propene, 1-(ethylsulfinyl)-3-(2-propenylsulfinyl)-
CID 6449029
1-Propene, 1,3-bis(2-propenylsulfinyl)-
CID 6449031
(E)-1-(prop-2-enyldisulfanyl)-3-[(R)-prop-2-enylsulfinyl]prop-1-ene
CID 76962524
(E)-1-ethylsulfonylprop-1-ene
CID 638435

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfonylprop-1-ene?
The IUPAC name of (Z)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfonylprop-1-ene (CID 88657773) is (Z)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfonylprop-1-ene.
What is the SMILES notation for (Z)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfonylprop-1-ene?
The canonical SMILES for (Z)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfonylprop-1-ene is C=CCSS/C=C\CS(=O)(=O)CC=C.
What is the InChIKey of (Z)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfonylprop-1-ene?
The InChIKey is OBJCYMGLWKMJIK-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H14O2S3/c1-3-6-12-13-7-5-9-14(10,11)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5-.
What are the key properties of (Z)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfonylprop-1-ene?
(Z)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfonylprop-1-ene has a molecular weight of 250.41 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfonylprop-1-ene is sourced from PubChem (CID 88657773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).