pent-2-ene-3-sulfonic acid

C5H10O3S — CID 6713776

IUPACpent-2-ene-3-sulfonic acid
SMILESCC=C(CC)S(=O)(=O)O
InChIInChI=1S/C5H10O3S/c1-3-5(4-2)9(6,7)8/h3H,4H2,1-2H3,(H,6,7,8)
InChIKeyJNYQKQSCQIJLRC-UHFFFAOYSA-N
MW150.20 g/mol
LogP1.19
Rot. Bonds2

About pent-2-ene-3-sulfonic acid

pent-2-ene-3-sulfonic acid (PubChem CID 6713776) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is pent-2-ene-3-sulfonic acid.

Molecular Properties

Compound Namepent-2-ene-3-sulfonic acid
PubChem CID6713776
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Namepent-2-ene-3-sulfonic acid
SMILESCC=C(CC)S(=O)(=O)O
InChIInChI=1S/C5H10O3S/c1-3-5(4-2)9(6,7)8/h3H,4H2,1-2H3,(H,6,7,8)
InChIKeyJNYQKQSCQIJLRC-UHFFFAOYSA-N
XLogP1.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Cyclohexa-1,4-diene-1-sulfonic acid
CID 18457857
But-2-ene-2-sulfonic acid
CID 6713419
potassium (E)-pent-2-ene-3-sulfonate
CID 134985862
potassium (E)-pent-2-ene-2-sulfonate
CID 134985943
(E)-dodec-6-ene-6-sulfonic acid
CID 14419921
(E)-oct-4-ene-4-sulfonic acid
CID 14419923
(E)-pent-2-ene-1-sulfonic acid
CID 14919010
Cyclopentene-1-sulfonic acid
CID 15209714
Cyclohexene-1-sulfonic acid
CID 15209716
(E)-hex-2-ene-1-sulfonic acid
CID 15607239
But-1-ene-2-sulfonic acid
CID 17775558
(E)-but-2-ene-2-sulfonic acid
CID 17776567

Frequently Asked Questions

What is the IUPAC name of pent-2-ene-3-sulfonic acid?
The IUPAC name of pent-2-ene-3-sulfonic acid (CID 6713776) is pent-2-ene-3-sulfonic acid.
What is the SMILES notation for pent-2-ene-3-sulfonic acid?
The canonical SMILES for pent-2-ene-3-sulfonic acid is CC=C(CC)S(=O)(=O)O.
What is the InChIKey of pent-2-ene-3-sulfonic acid?
The InChIKey is JNYQKQSCQIJLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-3-5(4-2)9(6,7)8/h3H,4H2,1-2H3,(H,6,7,8).
What are the key properties of pent-2-ene-3-sulfonic acid?
pent-2-ene-3-sulfonic acid has a molecular weight of 150.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-2-ene-3-sulfonic acid is sourced from PubChem (CID 6713776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).