1-prop-1-enylsulfonylpropane

C6H12O2S — CID 86135283

IUPAC1-prop-1-enylsulfonylpropane
SMILESCC=CS(=O)(=O)CCC
InChIInChI=1S/C6H12O2S/c1-3-5-9(7,8)6-4-2/h3,5H,4,6H2,1-2H3
InChIKeyDFALQSHFSCYYLQ-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.34
Rot. Bonds3

About 1-prop-1-enylsulfonylpropane

1-prop-1-enylsulfonylpropane (PubChem CID 86135283) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 1-prop-1-enylsulfonylpropane.

Molecular Properties

Compound Name1-prop-1-enylsulfonylpropane
PubChem CID86135283
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name1-prop-1-enylsulfonylpropane
SMILESCC=CS(=O)(=O)CCC
InChIInChI=1S/C6H12O2S/c1-3-5-9(7,8)6-4-2/h3,5H,4,6H2,1-2H3
InChIKeyDFALQSHFSCYYLQ-UHFFFAOYSA-N
XLogP1.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enylsulfonylpropane?
The IUPAC name of 1-prop-1-enylsulfonylpropane (CID 86135283) is 1-prop-1-enylsulfonylpropane.
What is the SMILES notation for 1-prop-1-enylsulfonylpropane?
The canonical SMILES for 1-prop-1-enylsulfonylpropane is CC=CS(=O)(=O)CCC.
What is the InChIKey of 1-prop-1-enylsulfonylpropane?
The InChIKey is DFALQSHFSCYYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-3-5-9(7,8)6-4-2/h3,5H,4,6H2,1-2H3.
What are the key properties of 1-prop-1-enylsulfonylpropane?
1-prop-1-enylsulfonylpropane has a molecular weight of 148.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enylsulfonylpropane is sourced from PubChem (CID 86135283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).