3-prop-2-enylsulfanylsulfinyloxysulfanylprop-1-ene

C6H10O2S3 — CID 19710817

IUPAC3-prop-2-enylsulfanylsulfinyloxysulfanylprop-1-ene
SMILESC=CCSOS(=O)SCC=C
InChIInChI=1S/C6H10O2S3/c1-3-5-9-8-11(7)10-6-4-2/h3-4H,1-2,5-6H2
InChIKeyZUGSCHPOWXETEI-UHFFFAOYSA-N
MW210.34 g/mol
LogP2.34
Rot. Bonds7

About 3-prop-2-enylsulfanylsulfinyloxysulfanylprop-1-ene

3-prop-2-enylsulfanylsulfinyloxysulfanylprop-1-ene (PubChem CID 19710817) has the molecular formula C6H10O2S3 and a molecular weight of 210.34 g/mol. Its IUPAC name is 3-prop-2-enylsulfanylsulfinyloxysulfanylprop-1-ene.

Molecular Properties

Compound Name3-prop-2-enylsulfanylsulfinyloxysulfanylprop-1-ene
PubChem CID19710817
Molecular FormulaC6H10O2S3
Molecular Weight210.34 g/mol
Exact Mass209.98
IUPAC Name3-prop-2-enylsulfanylsulfinyloxysulfanylprop-1-ene
SMILESC=CCSOS(=O)SCC=C
InChIInChI=1S/C6H10O2S3/c1-3-5-9-8-11(7)10-6-4-2/h3-4H,1-2,5-6H2
InChIKeyZUGSCHPOWXETEI-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 52.34
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'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylsulfanylsulfinyloxysulfanylprop-1-ene?
The IUPAC name of 3-prop-2-enylsulfanylsulfinyloxysulfanylprop-1-ene (CID 19710817) is 3-prop-2-enylsulfanylsulfinyloxysulfanylprop-1-ene.
What is the SMILES notation for 3-prop-2-enylsulfanylsulfinyloxysulfanylprop-1-ene?
The canonical SMILES for 3-prop-2-enylsulfanylsulfinyloxysulfanylprop-1-ene is C=CCSOS(=O)SCC=C.
What is the InChIKey of 3-prop-2-enylsulfanylsulfinyloxysulfanylprop-1-ene?
The InChIKey is ZUGSCHPOWXETEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S3/c1-3-5-9-8-11(7)10-6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of 3-prop-2-enylsulfanylsulfinyloxysulfanylprop-1-ene?
3-prop-2-enylsulfanylsulfinyloxysulfanylprop-1-ene has a molecular weight of 210.34 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylsulfanylsulfinyloxysulfanylprop-1-ene is sourced from PubChem (CID 19710817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).