chloro-(chloromethyl)-methylsulfanium

C2H5Cl2S+ — CID 16693319

IUPACchloro-(chloromethyl)-methylsulfanium
SMILESC[S+](Cl)CCl
InChIInChI=1S/C2H5Cl2S/c1-5(4)2-3/h2H2,1H3/q+1
InChIKeyZHMKTBZBYQUIQM-UHFFFAOYSA-N
MW132.04 g/mol
LogP1.58
Rot. Bonds1

About chloro-(chloromethyl)-methylsulfanium

chloro-(chloromethyl)-methylsulfanium (PubChem CID 16693319) has the molecular formula C2H5Cl2S+ and a molecular weight of 132.04 g/mol. Its IUPAC name is chloro-(chloromethyl)-methylsulfanium.

Molecular Properties

Compound Namechloro-(chloromethyl)-methylsulfanium
PubChem CID16693319
Molecular FormulaC2H5Cl2S+
Molecular Weight132.04 g/mol
Exact Mass130.95
IUPAC Namechloro-(chloromethyl)-methylsulfanium
SMILESC[S+](Cl)CCl
InChIInChI=1S/C2H5Cl2S/c1-5(4)2-3/h2H2,1H3/q+1
InChIKeyZHMKTBZBYQUIQM-UHFFFAOYSA-N
XLogP1.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.04
LogP ≤ 51.58
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'}

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Frequently Asked Questions

What is the IUPAC name of chloro-(chloromethyl)-methylsulfanium?
The IUPAC name of chloro-(chloromethyl)-methylsulfanium (CID 16693319) is chloro-(chloromethyl)-methylsulfanium.
What is the SMILES notation for chloro-(chloromethyl)-methylsulfanium?
The canonical SMILES for chloro-(chloromethyl)-methylsulfanium is C[S+](Cl)CCl.
What is the InChIKey of chloro-(chloromethyl)-methylsulfanium?
The InChIKey is ZHMKTBZBYQUIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Cl2S/c1-5(4)2-3/h2H2,1H3/q+1.
What are the key properties of chloro-(chloromethyl)-methylsulfanium?
chloro-(chloromethyl)-methylsulfanium has a molecular weight of 132.04 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(chloromethyl)-methylsulfanium is sourced from PubChem (CID 16693319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).