1-[(E)-prop-1-enyl]sulfinylsulfanylpropane

C6H12OS2 — CID 58219322

IUPAC1-[(E)-prop-1-enyl]sulfinylsulfanylpropane
SMILESC/C=C/S(=O)SCCC
InChIInChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h4,6H,3,5H2,1-2H3/b6-4+
InChIKeyPQPRIQKDDOEUMO-GQCTYLIASA-N
MW164.30 g/mol
LogP2.33
Rot. Bonds4

About 1-[(E)-prop-1-enyl]sulfinylsulfanylpropane

1-[(E)-prop-1-enyl]sulfinylsulfanylpropane (PubChem CID 58219322) has the molecular formula C6H12OS2 and a molecular weight of 164.30 g/mol. Its IUPAC name is 1-[(E)-prop-1-enyl]sulfinylsulfanylpropane.

Molecular Properties

Compound Name1-[(E)-prop-1-enyl]sulfinylsulfanylpropane
PubChem CID58219322
Molecular FormulaC6H12OS2
Molecular Weight164.30 g/mol
Exact Mass164.03
IUPAC Name1-[(E)-prop-1-enyl]sulfinylsulfanylpropane
SMILESC/C=C/S(=O)SCCC
InChIInChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h4,6H,3,5H2,1-2H3/b6-4+
InChIKeyPQPRIQKDDOEUMO-GQCTYLIASA-N
XLogP2.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-prop-1-enyl]sulfinylsulfanylpropane?
The IUPAC name of 1-[(E)-prop-1-enyl]sulfinylsulfanylpropane (CID 58219322) is 1-[(E)-prop-1-enyl]sulfinylsulfanylpropane.
What is the SMILES notation for 1-[(E)-prop-1-enyl]sulfinylsulfanylpropane?
The canonical SMILES for 1-[(E)-prop-1-enyl]sulfinylsulfanylpropane is C/C=C/S(=O)SCCC.
What is the InChIKey of 1-[(E)-prop-1-enyl]sulfinylsulfanylpropane?
The InChIKey is PQPRIQKDDOEUMO-GQCTYLIASA-N. The full InChI is InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h4,6H,3,5H2,1-2H3/b6-4+.
What are the key properties of 1-[(E)-prop-1-enyl]sulfinylsulfanylpropane?
1-[(E)-prop-1-enyl]sulfinylsulfanylpropane has a molecular weight of 164.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enyl]sulfinylsulfanylpropane is sourced from PubChem (CID 58219322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).