(E)-3-methylsulfonylprop-2-en-1-ol

C4H8O3S — CID 11400800

IUPAC(E)-3-methylsulfonylprop-2-en-1-ol
SMILESCS(=O)(=O)/C=C/CO
InChIInChI=1S/C4H8O3S/c1-8(6,7)4-2-3-5/h2,4-5H,3H2,1H3/b4-2+
InChIKeyQVJRMEOIOMVCKY-DUXPYHPUSA-N
MW136.17 g/mol
LogP-0.46
Rot. Bonds2

About (E)-3-methylsulfonylprop-2-en-1-ol

(E)-3-methylsulfonylprop-2-en-1-ol (PubChem CID 11400800) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is (E)-3-methylsulfonylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-methylsulfonylprop-2-en-1-ol
PubChem CID11400800
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Name(E)-3-methylsulfonylprop-2-en-1-ol
SMILESCS(=O)(=O)/C=C/CO
InChIInChI=1S/C4H8O3S/c1-8(6,7)4-2-3-5/h2,4-5H,3H2,1H3/b4-2+
InChIKeyQVJRMEOIOMVCKY-DUXPYHPUSA-N
XLogP-0.46
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methylsulfonylprop-2-en-1-ol?
The IUPAC name of (E)-3-methylsulfonylprop-2-en-1-ol (CID 11400800) is (E)-3-methylsulfonylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-methylsulfonylprop-2-en-1-ol?
The canonical SMILES for (E)-3-methylsulfonylprop-2-en-1-ol is CS(=O)(=O)/C=C/CO.
What is the InChIKey of (E)-3-methylsulfonylprop-2-en-1-ol?
The InChIKey is QVJRMEOIOMVCKY-DUXPYHPUSA-N. The full InChI is InChI=1S/C4H8O3S/c1-8(6,7)4-2-3-5/h2,4-5H,3H2,1H3/b4-2+.
What are the key properties of (E)-3-methylsulfonylprop-2-en-1-ol?
(E)-3-methylsulfonylprop-2-en-1-ol has a molecular weight of 136.17 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylsulfonylprop-2-en-1-ol is sourced from PubChem (CID 11400800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).