dimethyl(methylsulfanylmethyl)sulfanium

C4H11S2+ — CID 3969419

IUPACdimethyl(methylsulfanylmethyl)sulfanium
SMILESCSC[S+](C)C
InChIInChI=1S/C4H11S2/c1-5-4-6(2)3/h4H2,1-3H3/q+1
InChIKeySTCULHGIHBJWFQ-UHFFFAOYSA-N
MW123.27 g/mol
LogP1.18
Rot. Bonds2

About dimethyl(methylsulfanylmethyl)sulfanium

dimethyl(methylsulfanylmethyl)sulfanium (PubChem CID 3969419) has the molecular formula C4H11S2+ and a molecular weight of 123.27 g/mol. Its IUPAC name is dimethyl(methylsulfanylmethyl)sulfanium.

Molecular Properties

Compound Namedimethyl(methylsulfanylmethyl)sulfanium
PubChem CID3969419
Molecular FormulaC4H11S2+
Molecular Weight123.27 g/mol
Exact Mass123.03
IUPAC Namedimethyl(methylsulfanylmethyl)sulfanium
SMILESCSC[S+](C)C
InChIInChI=1S/C4H11S2/c1-5-4-6(2)3/h4H2,1-3H3/q+1
InChIKeySTCULHGIHBJWFQ-UHFFFAOYSA-N
XLogP1.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.27
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl(methylsulfanylmethyl)sulfanium?
The IUPAC name of dimethyl(methylsulfanylmethyl)sulfanium (CID 3969419) is dimethyl(methylsulfanylmethyl)sulfanium.
What is the SMILES notation for dimethyl(methylsulfanylmethyl)sulfanium?
The canonical SMILES for dimethyl(methylsulfanylmethyl)sulfanium is CSC[S+](C)C.
What is the InChIKey of dimethyl(methylsulfanylmethyl)sulfanium?
The InChIKey is STCULHGIHBJWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11S2/c1-5-4-6(2)3/h4H2,1-3H3/q+1.
What are the key properties of dimethyl(methylsulfanylmethyl)sulfanium?
dimethyl(methylsulfanylmethyl)sulfanium has a molecular weight of 123.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(methylsulfanylmethyl)sulfanium is sourced from PubChem (CID 3969419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).