1-prop-1-enylsulfinylsulfanylpropane

C6H12OS2 — CID 76706473

IUPAC1-prop-1-enylsulfinylsulfanylpropane
SMILESCC=CS(=O)SCCC
InChIInChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h4,6H,3,5H2,1-2H3
InChIKeyPQPRIQKDDOEUMO-UHFFFAOYSA-N
MW164.30 g/mol
LogP2.33
Rot. Bonds4

About 1-prop-1-enylsulfinylsulfanylpropane

1-prop-1-enylsulfinylsulfanylpropane (PubChem CID 76706473) has the molecular formula C6H12OS2 and a molecular weight of 164.30 g/mol. Its IUPAC name is 1-prop-1-enylsulfinylsulfanylpropane.

Molecular Properties

Compound Name1-prop-1-enylsulfinylsulfanylpropane
PubChem CID76706473
Molecular FormulaC6H12OS2
Molecular Weight164.30 g/mol
Exact Mass164.03
IUPAC Name1-prop-1-enylsulfinylsulfanylpropane
SMILESCC=CS(=O)SCCC
InChIInChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h4,6H,3,5H2,1-2H3
InChIKeyPQPRIQKDDOEUMO-UHFFFAOYSA-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'}

Analyze 1-prop-1-enylsulfinylsulfanylpropane 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 1-prop-1-enylsulfinylsulfanylpropane?
The IUPAC name of 1-prop-1-enylsulfinylsulfanylpropane (CID 76706473) is 1-prop-1-enylsulfinylsulfanylpropane.
What is the SMILES notation for 1-prop-1-enylsulfinylsulfanylpropane?
The canonical SMILES for 1-prop-1-enylsulfinylsulfanylpropane is CC=CS(=O)SCCC.
What is the InChIKey of 1-prop-1-enylsulfinylsulfanylpropane?
The InChIKey is PQPRIQKDDOEUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h4,6H,3,5H2,1-2H3.
What are the key properties of 1-prop-1-enylsulfinylsulfanylpropane?
1-prop-1-enylsulfinylsulfanylpropane 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-prop-1-enylsulfinylsulfanylpropane is sourced from PubChem (CID 76706473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).