(E)-1-[(E)-prop-1-enyl]sulfinylsulfanylprop-1-ene

C6H10OS2 — CID 58219327

IUPAC(E)-1-[(E)-prop-1-enyl]sulfinylsulfanylprop-1-ene
SMILESC/C=C/SS(=O)/C=C/C
InChIInChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-6H,1-2H3/b5-3+,6-4+
InChIKeyGYJUUWJKEUIYPF-GGWOSOGESA-N
MW162.28 g/mol
LogP2.45
Rot. Bonds3

About (E)-1-[(E)-prop-1-enyl]sulfinylsulfanylprop-1-ene

(E)-1-[(E)-prop-1-enyl]sulfinylsulfanylprop-1-ene (PubChem CID 58219327) has the molecular formula C6H10OS2 and a molecular weight of 162.28 g/mol. Its IUPAC name is (E)-1-[(E)-prop-1-enyl]sulfinylsulfanylprop-1-ene.

Molecular Properties

Compound Name(E)-1-[(E)-prop-1-enyl]sulfinylsulfanylprop-1-ene
PubChem CID58219327
Molecular FormulaC6H10OS2
Molecular Weight162.28 g/mol
Exact Mass162.02
IUPAC Name(E)-1-[(E)-prop-1-enyl]sulfinylsulfanylprop-1-ene
SMILESC/C=C/SS(=O)/C=C/C
InChIInChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-6H,1-2H3/b5-3+,6-4+
InChIKeyGYJUUWJKEUIYPF-GGWOSOGESA-N
XLogP2.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 52.45
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 (E)-1-[(E)-prop-1-enyl]sulfinylsulfanylprop-1-ene?
The IUPAC name of (E)-1-[(E)-prop-1-enyl]sulfinylsulfanylprop-1-ene (CID 58219327) is (E)-1-[(E)-prop-1-enyl]sulfinylsulfanylprop-1-ene.
What is the SMILES notation for (E)-1-[(E)-prop-1-enyl]sulfinylsulfanylprop-1-ene?
The canonical SMILES for (E)-1-[(E)-prop-1-enyl]sulfinylsulfanylprop-1-ene is C/C=C/SS(=O)/C=C/C.
What is the InChIKey of (E)-1-[(E)-prop-1-enyl]sulfinylsulfanylprop-1-ene?
The InChIKey is GYJUUWJKEUIYPF-GGWOSOGESA-N. The full InChI is InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-6H,1-2H3/b5-3+,6-4+.
What are the key properties of (E)-1-[(E)-prop-1-enyl]sulfinylsulfanylprop-1-ene?
(E)-1-[(E)-prop-1-enyl]sulfinylsulfanylprop-1-ene has a molecular weight of 162.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(E)-prop-1-enyl]sulfinylsulfanylprop-1-ene is sourced from PubChem (CID 58219327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).