hydroxy-prop-1-enyl-prop-1-enylsulfanylsulfanium

C6H11OS2+ — CID 25200944

IUPAChydroxy-prop-1-enyl-prop-1-enylsulfanylsulfanium
SMILESCC=CS[S+](O)C=CC
InChIInChI=1S/C6H11OS2/c1-3-5-8-9(7)6-4-2/h3-7H,1-2H3/q+1
InChIKeyLZVBLYBKZZWNDK-UHFFFAOYSA-N
MW163.29 g/mol
LogP2.79
Rot. Bonds3

About hydroxy-prop-1-enyl-prop-1-enylsulfanylsulfanium

hydroxy-prop-1-enyl-prop-1-enylsulfanylsulfanium (PubChem CID 25200944) has the molecular formula C6H11OS2+ and a molecular weight of 163.29 g/mol. Its IUPAC name is hydroxy-prop-1-enyl-prop-1-enylsulfanylsulfanium.

Molecular Properties

Compound Namehydroxy-prop-1-enyl-prop-1-enylsulfanylsulfanium
PubChem CID25200944
Molecular FormulaC6H11OS2+
Molecular Weight163.29 g/mol
Exact Mass163.02
IUPAC Namehydroxy-prop-1-enyl-prop-1-enylsulfanylsulfanium
SMILESCC=CS[S+](O)C=CC
InChIInChI=1S/C6H11OS2/c1-3-5-8-9(7)6-4-2/h3-7H,1-2H3/q+1
InChIKeyLZVBLYBKZZWNDK-UHFFFAOYSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hydroxy-prop-1-enyl-prop-1-enylsulfanylsulfanium with MolForge

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

Launch Full Analysis

Related Compounds

S-Methyl 2-propene-1-sulfinothioate
CID 5319504
Thiosulfinate
CID 58219327
S-1-Propenyl 2-propenesulfinothioate
CID 10558949
S-2-Propenyl 1-propenesulfinothioate
CID 58219317
(E) 1-propenylsulfenate
CID 20371837
S-2-Propenyl 1-propanesulfinothioate
CID 20209224
S-2-Propenyl methanesulfinothioate
CID 20216915
(Z)-S-1-Propenyl methanesulfinothioate
CID 14412546
R-1-Propenyl 1-propanesulfinothioate
CID 14412548
Methyl 1-propenyl thiosulfinate
CID 5319763
Methanesulfinothioic acid, S-1-propenyl ester
CID 10129986
(E)-1-butenesulfenate
CID 87828817

Frequently Asked Questions

What is the IUPAC name of hydroxy-prop-1-enyl-prop-1-enylsulfanylsulfanium?
The IUPAC name of hydroxy-prop-1-enyl-prop-1-enylsulfanylsulfanium (CID 25200944) is hydroxy-prop-1-enyl-prop-1-enylsulfanylsulfanium.
What is the SMILES notation for hydroxy-prop-1-enyl-prop-1-enylsulfanylsulfanium?
The canonical SMILES for hydroxy-prop-1-enyl-prop-1-enylsulfanylsulfanium is CC=CS[S+](O)C=CC.
What is the InChIKey of hydroxy-prop-1-enyl-prop-1-enylsulfanylsulfanium?
The InChIKey is LZVBLYBKZZWNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11OS2/c1-3-5-8-9(7)6-4-2/h3-7H,1-2H3/q+1.
What are the key properties of hydroxy-prop-1-enyl-prop-1-enylsulfanylsulfanium?
hydroxy-prop-1-enyl-prop-1-enylsulfanylsulfanium has a molecular weight of 163.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-prop-1-enyl-prop-1-enylsulfanylsulfanium is sourced from PubChem (CID 25200944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).