(E)-1-prop-2-enylsulfanylsulfinylprop-1-ene

C6H10OS2 — CID 58219317

IUPAC(E)-1-prop-2-enylsulfanylsulfinylprop-1-ene
SMILESC=CCSS(=O)/C=C/C
InChIInChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4,6H,1,5H2,2H3/b6-4+
InChIKeyMMTFXWIIILIGFN-GQCTYLIASA-N
MW162.28 g/mol
LogP2.10
Rot. Bonds4

About (E)-1-prop-2-enylsulfanylsulfinylprop-1-ene

(E)-1-prop-2-enylsulfanylsulfinylprop-1-ene (PubChem CID 58219317) has the molecular formula C6H10OS2 and a molecular weight of 162.28 g/mol. Its IUPAC name is (E)-1-prop-2-enylsulfanylsulfinylprop-1-ene.

Molecular Properties

Compound Name(E)-1-prop-2-enylsulfanylsulfinylprop-1-ene
PubChem CID58219317
Molecular FormulaC6H10OS2
Molecular Weight162.28 g/mol
Exact Mass162.02
IUPAC Name(E)-1-prop-2-enylsulfanylsulfinylprop-1-ene
SMILESC=CCSS(=O)/C=C/C
InChIInChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4,6H,1,5H2,2H3/b6-4+
InChIKeyMMTFXWIIILIGFN-GQCTYLIASA-N
XLogP2.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-prop-2-enylsulfanylsulfinylprop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-prop-2-enylsulfanylsulfinylprop-1-ene?
The IUPAC name of (E)-1-prop-2-enylsulfanylsulfinylprop-1-ene (CID 58219317) is (E)-1-prop-2-enylsulfanylsulfinylprop-1-ene.
What is the SMILES notation for (E)-1-prop-2-enylsulfanylsulfinylprop-1-ene?
The canonical SMILES for (E)-1-prop-2-enylsulfanylsulfinylprop-1-ene is C=CCSS(=O)/C=C/C.
What is the InChIKey of (E)-1-prop-2-enylsulfanylsulfinylprop-1-ene?
The InChIKey is MMTFXWIIILIGFN-GQCTYLIASA-N. The full InChI is InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4,6H,1,5H2,2H3/b6-4+.
What are the key properties of (E)-1-prop-2-enylsulfanylsulfinylprop-1-ene?
(E)-1-prop-2-enylsulfanylsulfinylprop-1-ene has a molecular weight of 162.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-prop-2-enylsulfanylsulfinylprop-1-ene is sourced from PubChem (CID 58219317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).