2-propan-2-ylsulfinylpropane

C12H28O2S2 — CID 158857141

IUPAC2-propan-2-ylsulfinylpropane
SMILESCC(C)S(=O)C(C)C.CC(C)S(=O)C(C)C
InChIInChI=1S/2C6H14OS/c2*1-5(2)8(7)6(3)4/h2*5-6H,1-4H3
InChIKeyJAEUOYDSHAKCRU-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.10
Rot. Bonds4

About 2-propan-2-ylsulfinylpropane

2-propan-2-ylsulfinylpropane (PubChem CID 158857141) has the molecular formula C12H28O2S2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-propan-2-ylsulfinylpropane.

Molecular Properties

Compound Name2-propan-2-ylsulfinylpropane
PubChem CID158857141
Molecular FormulaC12H28O2S2
Molecular Weight268.49 g/mol
Exact Mass268.15
IUPAC Name2-propan-2-ylsulfinylpropane
SMILESCC(C)S(=O)C(C)C.CC(C)S(=O)C(C)C
InChIInChI=1S/2C6H14OS/c2*1-5(2)8(7)6(3)4/h2*5-6H,1-4H3
InChIKeyJAEUOYDSHAKCRU-UHFFFAOYSA-N
XLogP3.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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 158857141) 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.CC(C)S(=O)C(C)C.
What is the InChIKey of 2-propan-2-ylsulfinylpropane?
The InChIKey is JAEUOYDSHAKCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14OS/c2*1-5(2)8(7)6(3)4/h2*5-6H,1-4H3.
What are the key properties of 2-propan-2-ylsulfinylpropane?
2-propan-2-ylsulfinylpropane has a molecular weight of 268.49 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfinylpropane is sourced from PubChem (CID 158857141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).