(Z)-1-(methyldisulfanyl)-3-propylsulfinylprop-1-ene

C7H14OS3 — CID 44814459

IUPAC(Z)-1-(methyldisulfanyl)-3-propylsulfinylprop-1-ene
SMILESCCCS(=O)C/C=C\SSC
InChIInChI=1S/C7H14OS3/c1-3-6-11(8)7-4-5-10-9-2/h4-5H,3,6-7H2,1-2H3/b5-4-
InChIKeyNMJQOOQCMRGRSX-PLNGDYQASA-N
MW210.39 g/mol
LogP2.67
Rot. Bonds6

About (Z)-1-(methyldisulfanyl)-3-propylsulfinylprop-1-ene

(Z)-1-(methyldisulfanyl)-3-propylsulfinylprop-1-ene (PubChem CID 44814459) has the molecular formula C7H14OS3 and a molecular weight of 210.39 g/mol. Its IUPAC name is (Z)-1-(methyldisulfanyl)-3-propylsulfinylprop-1-ene.

Molecular Properties

Compound Name(Z)-1-(methyldisulfanyl)-3-propylsulfinylprop-1-ene
PubChem CID44814459
Molecular FormulaC7H14OS3
Molecular Weight210.39 g/mol
Exact Mass210.02
IUPAC Name(Z)-1-(methyldisulfanyl)-3-propylsulfinylprop-1-ene
SMILESCCCS(=O)C/C=C\SSC
InChIInChI=1S/C7H14OS3/c1-3-6-11(8)7-4-5-10-9-2/h4-5H,3,6-7H2,1-2H3/b5-4-
InChIKeyNMJQOOQCMRGRSX-PLNGDYQASA-N
XLogP2.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(methyldisulfanyl)-3-propylsulfinylprop-1-ene?
The IUPAC name of (Z)-1-(methyldisulfanyl)-3-propylsulfinylprop-1-ene (CID 44814459) is (Z)-1-(methyldisulfanyl)-3-propylsulfinylprop-1-ene.
What is the SMILES notation for (Z)-1-(methyldisulfanyl)-3-propylsulfinylprop-1-ene?
The canonical SMILES for (Z)-1-(methyldisulfanyl)-3-propylsulfinylprop-1-ene is CCCS(=O)C/C=C\SSC.
What is the InChIKey of (Z)-1-(methyldisulfanyl)-3-propylsulfinylprop-1-ene?
The InChIKey is NMJQOOQCMRGRSX-PLNGDYQASA-N. The full InChI is InChI=1S/C7H14OS3/c1-3-6-11(8)7-4-5-10-9-2/h4-5H,3,6-7H2,1-2H3/b5-4-.
What are the key properties of (Z)-1-(methyldisulfanyl)-3-propylsulfinylprop-1-ene?
(Z)-1-(methyldisulfanyl)-3-propylsulfinylprop-1-ene has a molecular weight of 210.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(methyldisulfanyl)-3-propylsulfinylprop-1-ene is sourced from PubChem (CID 44814459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).