2-methyl-2-propan-2-ylsulfinylpropane

C7H16OS — CID 14176049

IUPAC2-methyl-2-propan-2-ylsulfinylpropane
SMILESCC(C)S(=O)C(C)(C)C
InChIInChI=1S/C7H16OS/c1-6(2)9(8)7(3,4)5/h6H,1-5H3
InChIKeyWRMMOAQTXSXZFW-UHFFFAOYSA-N
MW148.27 g/mol
LogP1.94
Rot. Bonds1

About 2-methyl-2-propan-2-ylsulfinylpropane

2-methyl-2-propan-2-ylsulfinylpropane (PubChem CID 14176049) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 2-methyl-2-propan-2-ylsulfinylpropane.

Molecular Properties

Compound Name2-methyl-2-propan-2-ylsulfinylpropane
PubChem CID14176049
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name2-methyl-2-propan-2-ylsulfinylpropane
SMILESCC(C)S(=O)C(C)(C)C
InChIInChI=1S/C7H16OS/c1-6(2)9(8)7(3,4)5/h6H,1-5H3
InChIKeyWRMMOAQTXSXZFW-UHFFFAOYSA-N
XLogP1.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-ylsulfinylpropane?
The IUPAC name of 2-methyl-2-propan-2-ylsulfinylpropane (CID 14176049) is 2-methyl-2-propan-2-ylsulfinylpropane.
What is the SMILES notation for 2-methyl-2-propan-2-ylsulfinylpropane?
The canonical SMILES for 2-methyl-2-propan-2-ylsulfinylpropane is CC(C)S(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-2-propan-2-ylsulfinylpropane?
The InChIKey is WRMMOAQTXSXZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-6(2)9(8)7(3,4)5/h6H,1-5H3.
What are the key properties of 2-methyl-2-propan-2-ylsulfinylpropane?
2-methyl-2-propan-2-ylsulfinylpropane has a molecular weight of 148.27 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-ylsulfinylpropane is sourced from PubChem (CID 14176049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).