dimethyl(methylsulfanyl)sulfanium

C3H9S2+ — CID 2737115

IUPACdimethyl(methylsulfanyl)sulfanium
SMILESCS[S+](C)C
InChIInChI=1S/C3H9S2/c1-4-5(2)3/h1-3H3/q+1
InChIKeyRQKYPMNUYSOMOD-UHFFFAOYSA-N
MW109.24 g/mol
LogP1.14
Rot. Bonds1

About dimethyl(methylsulfanyl)sulfanium

dimethyl(methylsulfanyl)sulfanium (PubChem CID 2737115) has the molecular formula C3H9S2+ and a molecular weight of 109.24 g/mol. Its IUPAC name is dimethyl(methylsulfanyl)sulfanium.

Molecular Properties

Compound Namedimethyl(methylsulfanyl)sulfanium
PubChem CID2737115
Molecular FormulaC3H9S2+
Molecular Weight109.24 g/mol
Exact Mass109.01
IUPAC Namedimethyl(methylsulfanyl)sulfanium
SMILESCS[S+](C)C
InChIInChI=1S/C3H9S2/c1-4-5(2)3/h1-3H3/q+1
InChIKeyRQKYPMNUYSOMOD-UHFFFAOYSA-N
XLogP1.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.24
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl(methylsulfanyl)sulfanium?
The IUPAC name of dimethyl(methylsulfanyl)sulfanium (CID 2737115) is dimethyl(methylsulfanyl)sulfanium.
What is the SMILES notation for dimethyl(methylsulfanyl)sulfanium?
The canonical SMILES for dimethyl(methylsulfanyl)sulfanium is CS[S+](C)C.
What is the InChIKey of dimethyl(methylsulfanyl)sulfanium?
The InChIKey is RQKYPMNUYSOMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9S2/c1-4-5(2)3/h1-3H3/q+1.
What are the key properties of dimethyl(methylsulfanyl)sulfanium?
dimethyl(methylsulfanyl)sulfanium has a molecular weight of 109.24 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(methylsulfanyl)sulfanium is sourced from PubChem (CID 2737115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).