2-methylsulfonylbut-2-ene-1,4-diol

C5H10O4S — CID 54029992

IUPAC2-methylsulfonylbut-2-ene-1,4-diol
SMILESCS(=O)(=O)C(=CCO)CO
InChIInChI=1S/C5H10O4S/c1-10(8,9)5(4-7)2-3-6/h2,6-7H,3-4H2,1H3
InChIKeyLEXGOLVXNPNPFZ-UHFFFAOYSA-N
MW166.20 g/mol
LogP-1.10
Rot. Bonds3

About 2-methylsulfonylbut-2-ene-1,4-diol

2-methylsulfonylbut-2-ene-1,4-diol (PubChem CID 54029992) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is 2-methylsulfonylbut-2-ene-1,4-diol.

Molecular Properties

Compound Name2-methylsulfonylbut-2-ene-1,4-diol
PubChem CID54029992
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Name2-methylsulfonylbut-2-ene-1,4-diol
SMILESCS(=O)(=O)C(=CCO)CO
InChIInChI=1S/C5H10O4S/c1-10(8,9)5(4-7)2-3-6/h2,6-7H,3-4H2,1H3
InChIKeyLEXGOLVXNPNPFZ-UHFFFAOYSA-N
XLogP-1.10
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylbut-2-ene-1,4-diol?
The IUPAC name of 2-methylsulfonylbut-2-ene-1,4-diol (CID 54029992) is 2-methylsulfonylbut-2-ene-1,4-diol.
What is the SMILES notation for 2-methylsulfonylbut-2-ene-1,4-diol?
The canonical SMILES for 2-methylsulfonylbut-2-ene-1,4-diol is CS(=O)(=O)C(=CCO)CO.
What is the InChIKey of 2-methylsulfonylbut-2-ene-1,4-diol?
The InChIKey is LEXGOLVXNPNPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4S/c1-10(8,9)5(4-7)2-3-6/h2,6-7H,3-4H2,1H3.
What are the key properties of 2-methylsulfonylbut-2-ene-1,4-diol?
2-methylsulfonylbut-2-ene-1,4-diol has a molecular weight of 166.20 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylbut-2-ene-1,4-diol is sourced from PubChem (CID 54029992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).