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

C6H12OS2 — CID 14412547

IUPAC1-[(E)-prop-1-enyl]sulfanylsulfinylpropane
SMILESC/C=C/SS(=O)CCC
InChIInChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
InChIKeyXLVMWOFYTFNDKM-HWKANZROSA-N
MW164.30 g/mol
LogP2.33
Rot. Bonds4

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

1-[(E)-prop-1-enyl]sulfanylsulfinylpropane (PubChem CID 14412547) has the molecular formula C6H12OS2 and a molecular weight of 164.30 g/mol. Its IUPAC name is 1-[(E)-prop-1-enyl]sulfanylsulfinylpropane.

Molecular Properties

Compound Name1-[(E)-prop-1-enyl]sulfanylsulfinylpropane
PubChem CID14412547
Molecular FormulaC6H12OS2
Molecular Weight164.30 g/mol
Exact Mass164.03
IUPAC Name1-[(E)-prop-1-enyl]sulfanylsulfinylpropane
SMILESC/C=C/SS(=O)CCC
InChIInChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
InChIKeyXLVMWOFYTFNDKM-HWKANZROSA-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]sulfanylsulfinylpropane?
The IUPAC name of 1-[(E)-prop-1-enyl]sulfanylsulfinylpropane (CID 14412547) is 1-[(E)-prop-1-enyl]sulfanylsulfinylpropane.
What is the SMILES notation for 1-[(E)-prop-1-enyl]sulfanylsulfinylpropane?
The canonical SMILES for 1-[(E)-prop-1-enyl]sulfanylsulfinylpropane is C/C=C/SS(=O)CCC.
What is the InChIKey of 1-[(E)-prop-1-enyl]sulfanylsulfinylpropane?
The InChIKey is XLVMWOFYTFNDKM-HWKANZROSA-N. The full InChI is InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h3,5H,4,6H2,1-2H3/b5-3+.
What are the key properties of 1-[(E)-prop-1-enyl]sulfanylsulfinylpropane?
1-[(E)-prop-1-enyl]sulfanylsulfinylpropane 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]sulfanylsulfinylpropane is sourced from PubChem (CID 14412547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).