2-propan-2-ylsulfinylpropane

C6H14OS — CID 16645

IUPAC2-propan-2-ylsulfinylpropane
SMILESCC(C)S(=O)C(C)C
InChIInChI=1S/C6H14OS/c1-5(2)8(7)6(3)4/h5-6H,1-4H3
InChIKeyWFJXYIUAMJAURQ-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.55
Rot. Bonds2

About 2-propan-2-ylsulfinylpropane

2-propan-2-ylsulfinylpropane (PubChem CID 16645) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 2-propan-2-ylsulfinylpropane.

Molecular Properties

Compound Name2-propan-2-ylsulfinylpropane
PubChem CID16645
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name2-propan-2-ylsulfinylpropane
SMILESCC(C)S(=O)C(C)C
InChIInChI=1S/C6H14OS/c1-5(2)8(7)6(3)4/h5-6H,1-4H3
InChIKeyWFJXYIUAMJAURQ-UHFFFAOYSA-N
XLogP1.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfinylpropane?
The IUPAC name of 2-propan-2-ylsulfinylpropane (CID 16645) is 2-propan-2-ylsulfinylpropane.
What is the SMILES notation for 2-propan-2-ylsulfinylpropane?
The canonical SMILES for 2-propan-2-ylsulfinylpropane is CC(C)S(=O)C(C)C.
What is the InChIKey of 2-propan-2-ylsulfinylpropane?
The InChIKey is WFJXYIUAMJAURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-5(2)8(7)6(3)4/h5-6H,1-4H3.
What are the key properties of 2-propan-2-ylsulfinylpropane?
2-propan-2-ylsulfinylpropane has a molecular weight of 134.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfinylpropane is sourced from PubChem (CID 16645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).