tert-butylsulfinylchloranium

C4H10ClOS+ — CID 162412882

IUPACtert-butylsulfinylchloranium
SMILESCC(C)(C)S(=O)[ClH+]
InChIInChI=1S/C4H10ClOS/c1-4(2,3)7(5)6/h5H,1-3H3/q+1
InChIKeyXOOGUIKPLGIOOD-UHFFFAOYSA-N
MW141.64 g/mol
LogP0.73
Rot. Bonds

About tert-butylsulfinylchloranium

tert-butylsulfinylchloranium (PubChem CID 162412882) has the molecular formula C4H10ClOS+ and a molecular weight of 141.64 g/mol. Its IUPAC name is tert-butylsulfinylchloranium.

Molecular Properties

Compound Nametert-butylsulfinylchloranium
PubChem CID162412882
Molecular FormulaC4H10ClOS+
Molecular Weight141.64 g/mol
Exact Mass141.01
IUPAC Nametert-butylsulfinylchloranium
SMILESCC(C)(C)S(=O)[ClH+]
InChIInChI=1S/C4H10ClOS/c1-4(2,3)7(5)6/h5H,1-3H3/q+1
InChIKeyXOOGUIKPLGIOOD-UHFFFAOYSA-N
XLogP0.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.64
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tert-butylsulfinylchloranium?
The IUPAC name of tert-butylsulfinylchloranium (CID 162412882) is tert-butylsulfinylchloranium.
What is the SMILES notation for tert-butylsulfinylchloranium?
The canonical SMILES for tert-butylsulfinylchloranium is CC(C)(C)S(=O)[ClH+].
What is the InChIKey of tert-butylsulfinylchloranium?
The InChIKey is XOOGUIKPLGIOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClOS/c1-4(2,3)7(5)6/h5H,1-3H3/q+1.
What are the key properties of tert-butylsulfinylchloranium?
tert-butylsulfinylchloranium has a molecular weight of 141.64 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylsulfinylchloranium is sourced from PubChem (CID 162412882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).