dichloromethyl(dimethyl)sulfanium tetrafluoroborate

C3H7BCl2F4S — CID 12650863

IUPACdichloromethyl(dimethyl)sulfanium tetrafluoroborate
SMILESC[S+](C)C(Cl)Cl.F[B-](F)(F)F
InChIInChI=1S/C3H7Cl2S.BF4/c1-6(2)3(4)5;2-1(3,4)5/h3H,1-2H3;/q+1;-1
InChIKeyGXENFEQHHZCQAS-UHFFFAOYSA-N
MW232.87 g/mol
LogP2.93
Rot. Bonds1

About dichloromethyl(dimethyl)sulfanium tetrafluoroborate

dichloromethyl(dimethyl)sulfanium tetrafluoroborate (PubChem CID 12650863) has the molecular formula C3H7BCl2F4S and a molecular weight of 232.87 g/mol. Its IUPAC name is dichloromethyl(dimethyl)sulfanium tetrafluoroborate.

Molecular Properties

Compound Namedichloromethyl(dimethyl)sulfanium tetrafluoroborate
PubChem CID12650863
Molecular FormulaC3H7BCl2F4S
Molecular Weight232.87 g/mol
Exact Mass231.97
IUPAC Namedichloromethyl(dimethyl)sulfanium tetrafluoroborate
SMILESC[S+](C)C(Cl)Cl.F[B-](F)(F)F
InChIInChI=1S/C3H7Cl2S.BF4/c1-6(2)3(4)5;2-1(3,4)5/h3H,1-2H3;/q+1;-1
InChIKeyGXENFEQHHZCQAS-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.87
LogP ≤ 52.93
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'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichloromethyl(dimethyl)sulfanium tetrafluoroborate?
The IUPAC name of dichloromethyl(dimethyl)sulfanium tetrafluoroborate (CID 12650863) is dichloromethyl(dimethyl)sulfanium tetrafluoroborate.
What is the SMILES notation for dichloromethyl(dimethyl)sulfanium tetrafluoroborate?
The canonical SMILES for dichloromethyl(dimethyl)sulfanium tetrafluoroborate is C[S+](C)C(Cl)Cl.F[B-](F)(F)F.
What is the InChIKey of dichloromethyl(dimethyl)sulfanium tetrafluoroborate?
The InChIKey is GXENFEQHHZCQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl2S.BF4/c1-6(2)3(4)5;2-1(3,4)5/h3H,1-2H3;/q+1;-1.
What are the key properties of dichloromethyl(dimethyl)sulfanium tetrafluoroborate?
dichloromethyl(dimethyl)sulfanium tetrafluoroborate has a molecular weight of 232.87 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethyl(dimethyl)sulfanium tetrafluoroborate is sourced from PubChem (CID 12650863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).