dimethyl(3-methylbutyl)sulfanium iodide

C7H17IS — CID 3056976

IUPACdimethyl(3-methylbutyl)sulfanium iodide
SMILESCC(C)CC[S+](C)C.[I-]
InChIInChI=1S/C7H17S.HI/c1-7(2)5-6-8(3)4;/h7H,5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyVSLAGDVHGPDWLE-UHFFFAOYSA-M
MW260.18 g/mol
LogP-1.09
Rot. Bonds3

About dimethyl(3-methylbutyl)sulfanium iodide

dimethyl(3-methylbutyl)sulfanium iodide (PubChem CID 3056976) has the molecular formula C7H17IS and a molecular weight of 260.18 g/mol. Its IUPAC name is dimethyl(3-methylbutyl)sulfanium iodide.

Molecular Properties

Compound Namedimethyl(3-methylbutyl)sulfanium iodide
PubChem CID3056976
Molecular FormulaC7H17IS
Molecular Weight260.18 g/mol
Exact Mass260.01
IUPAC Namedimethyl(3-methylbutyl)sulfanium iodide
SMILESCC(C)CC[S+](C)C.[I-]
InChIInChI=1S/C7H17S.HI/c1-7(2)5-6-8(3)4;/h7H,5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyVSLAGDVHGPDWLE-UHFFFAOYSA-M
XLogP-1.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 5-1.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl(3-methylbutyl)sulfanium iodide?
The IUPAC name of dimethyl(3-methylbutyl)sulfanium iodide (CID 3056976) is dimethyl(3-methylbutyl)sulfanium iodide.
What is the SMILES notation for dimethyl(3-methylbutyl)sulfanium iodide?
The canonical SMILES for dimethyl(3-methylbutyl)sulfanium iodide is CC(C)CC[S+](C)C.[I-].
What is the InChIKey of dimethyl(3-methylbutyl)sulfanium iodide?
The InChIKey is VSLAGDVHGPDWLE-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H17S.HI/c1-7(2)5-6-8(3)4;/h7H,5-6H2,1-4H3;1H/q+1;/p-1.
What are the key properties of dimethyl(3-methylbutyl)sulfanium iodide?
dimethyl(3-methylbutyl)sulfanium iodide has a molecular weight of 260.18 g/mol, XLogP of -1.09, 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 iodide is sourced from PubChem (CID 3056976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).