chloromethyl(dimethyl)sulfanium

C3H8ClS+ — CID 6383097

IUPACchloromethyl(dimethyl)sulfanium
SMILESC[S+](C)CCl
InChIInChI=1S/C3H8ClS/c1-5(2)3-4/h3H2,1-2H3/q+1
InChIKeyJIRHAPSQFFXSOL-UHFFFAOYSA-N
MW111.62 g/mol
LogP1.06
Rot. Bonds1

About chloromethyl(dimethyl)sulfanium

chloromethyl(dimethyl)sulfanium (PubChem CID 6383097) has the molecular formula C3H8ClS+ and a molecular weight of 111.62 g/mol. Its IUPAC name is chloromethyl(dimethyl)sulfanium.

Molecular Properties

Compound Namechloromethyl(dimethyl)sulfanium
PubChem CID6383097
Molecular FormulaC3H8ClS+
Molecular Weight111.62 g/mol
Exact Mass111.00
IUPAC Namechloromethyl(dimethyl)sulfanium
SMILESC[S+](C)CCl
InChIInChI=1S/C3H8ClS/c1-5(2)3-4/h3H2,1-2H3/q+1
InChIKeyJIRHAPSQFFXSOL-UHFFFAOYSA-N
XLogP1.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.62
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze chloromethyl(dimethyl)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 chloromethyl(dimethyl)sulfanium?
The IUPAC name of chloromethyl(dimethyl)sulfanium (CID 6383097) is chloromethyl(dimethyl)sulfanium.
What is the SMILES notation for chloromethyl(dimethyl)sulfanium?
The canonical SMILES for chloromethyl(dimethyl)sulfanium is C[S+](C)CCl.
What is the InChIKey of chloromethyl(dimethyl)sulfanium?
The InChIKey is JIRHAPSQFFXSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClS/c1-5(2)3-4/h3H2,1-2H3/q+1.
What are the key properties of chloromethyl(dimethyl)sulfanium?
chloromethyl(dimethyl)sulfanium has a molecular weight of 111.62 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl(dimethyl)sulfanium is sourced from PubChem (CID 6383097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).