2-methyl-2-[(E)-prop-1-enyl]sulfinylpropane

C7H14OS — CID 15644957

IUPAC2-methyl-2-[(E)-prop-1-enyl]sulfinylpropane
SMILESC/C=C/S(=O)C(C)(C)C
InChIInChI=1S/C7H14OS/c1-5-6-9(8)7(2,3)4/h5-6H,1-4H3/b6-5+
InChIKeyXDHPDOACQPTXJV-AATRIKPKSA-N
MW146.25 g/mol
LogP2.07
Rot. Bonds1

About 2-methyl-2-[(E)-prop-1-enyl]sulfinylpropane

2-methyl-2-[(E)-prop-1-enyl]sulfinylpropane (PubChem CID 15644957) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-methyl-2-[(E)-prop-1-enyl]sulfinylpropane.

Molecular Properties

Compound Name2-methyl-2-[(E)-prop-1-enyl]sulfinylpropane
PubChem CID15644957
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-methyl-2-[(E)-prop-1-enyl]sulfinylpropane
SMILESC/C=C/S(=O)C(C)(C)C
InChIInChI=1S/C7H14OS/c1-5-6-9(8)7(2,3)4/h5-6H,1-4H3/b6-5+
InChIKeyXDHPDOACQPTXJV-AATRIKPKSA-N
XLogP2.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(E)-prop-1-enyl]sulfinylpropane?
The IUPAC name of 2-methyl-2-[(E)-prop-1-enyl]sulfinylpropane (CID 15644957) is 2-methyl-2-[(E)-prop-1-enyl]sulfinylpropane.
What is the SMILES notation for 2-methyl-2-[(E)-prop-1-enyl]sulfinylpropane?
The canonical SMILES for 2-methyl-2-[(E)-prop-1-enyl]sulfinylpropane is C/C=C/S(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-2-[(E)-prop-1-enyl]sulfinylpropane?
The InChIKey is XDHPDOACQPTXJV-AATRIKPKSA-N. The full InChI is InChI=1S/C7H14OS/c1-5-6-9(8)7(2,3)4/h5-6H,1-4H3/b6-5+.
What are the key properties of 2-methyl-2-[(E)-prop-1-enyl]sulfinylpropane?
2-methyl-2-[(E)-prop-1-enyl]sulfinylpropane has a molecular weight of 146.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-prop-1-enyl]sulfinylpropane is sourced from PubChem (CID 15644957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).