dimethyl(3-methylbutyl)sulfanium

C7H17S+ — CID 3056977

IUPACdimethyl(3-methylbutyl)sulfanium
SMILESCC(C)CC[S+](C)C
InChIInChI=1S/C7H17S/c1-7(2)5-6-8(3)4/h7H,5-6H2,1-4H3/q+1
InChIKeyXSJASKGAGVBFPI-UHFFFAOYSA-N
MW133.28 g/mol
LogP1.91
Rot. Bonds3

About dimethyl(3-methylbutyl)sulfanium

dimethyl(3-methylbutyl)sulfanium (PubChem CID 3056977) has the molecular formula C7H17S+ and a molecular weight of 133.28 g/mol. Its IUPAC name is dimethyl(3-methylbutyl)sulfanium.

Molecular Properties

Compound Namedimethyl(3-methylbutyl)sulfanium
PubChem CID3056977
Molecular FormulaC7H17S+
Molecular Weight133.28 g/mol
Exact Mass133.10
IUPAC Namedimethyl(3-methylbutyl)sulfanium
SMILESCC(C)CC[S+](C)C
InChIInChI=1S/C7H17S/c1-7(2)5-6-8(3)4/h7H,5-6H2,1-4H3/q+1
InChIKeyXSJASKGAGVBFPI-UHFFFAOYSA-N
XLogP1.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dimethyl(3-methylbutyl)sulfanium 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 dimethyl(3-methylbutyl)sulfanium?
The IUPAC name of dimethyl(3-methylbutyl)sulfanium (CID 3056977) is dimethyl(3-methylbutyl)sulfanium.
What is the SMILES notation for dimethyl(3-methylbutyl)sulfanium?
The canonical SMILES for dimethyl(3-methylbutyl)sulfanium is CC(C)CC[S+](C)C.
What is the InChIKey of dimethyl(3-methylbutyl)sulfanium?
The InChIKey is XSJASKGAGVBFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17S/c1-7(2)5-6-8(3)4/h7H,5-6H2,1-4H3/q+1.
What are the key properties of dimethyl(3-methylbutyl)sulfanium?
dimethyl(3-methylbutyl)sulfanium has a molecular weight of 133.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(3-methylbutyl)sulfanium is sourced from PubChem (CID 3056977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).