prop-2-ene-1-sulfinic acid

C3H6O2S — CID 555758

IUPACprop-2-ene-1-sulfinic acid
SMILESC=CCS(=O)O
InChIInChI=1S/C3H6O2S/c1-2-3-6(4)5/h2H,1,3H2,(H,4,5)
InChIKeyUZSPFQBPERYLMS-UHFFFAOYSA-N
MW106.15 g/mol
LogP0.39
Rot. Bonds2

About prop-2-ene-1-sulfinic acid

prop-2-ene-1-sulfinic acid (PubChem CID 555758) has the molecular formula C3H6O2S and a molecular weight of 106.15 g/mol. Its IUPAC name is prop-2-ene-1-sulfinic acid.

Molecular Properties

Compound Nameprop-2-ene-1-sulfinic acid
PubChem CID555758
Molecular FormulaC3H6O2S
Molecular Weight106.15 g/mol
Exact Mass106.01
IUPAC Nameprop-2-ene-1-sulfinic acid
SMILESC=CCS(=O)O
InChIInChI=1S/C3H6O2S/c1-2-3-6(4)5/h2H,1,3H2,(H,4,5)
InChIKeyUZSPFQBPERYLMS-UHFFFAOYSA-N
XLogP0.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.15
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Sodium 2-propene-1-sulfonate
CID 23690996
Prop-2-ene-1-sulfonic acid
CID 17238
Prop-2-ene-1-sulfonyl chloride
CID 534496
Sodium prop-2-ene-1-sulfinate
CID 20589136
Propylensulfonsaure
CID 12508396
Propanensulfonic acid
CID 54231337
2-Propene-1-sulfonic acid, ion(1-)
CID 4447605
Prop-2-ene-1-sulfinate
CID 4385537
(e)-Butadiene-1-sulfonic acid
CID 13348584
Prop-2-ene-1-sulfonyl bromide
CID 21400636
Prop-1-ene-1-sulfinic acid
CID 76538873
CID 87059513
CID 87059513

Frequently Asked Questions

What is the IUPAC name of prop-2-ene-1-sulfinic acid?
The IUPAC name of prop-2-ene-1-sulfinic acid (CID 555758) is prop-2-ene-1-sulfinic acid.
What is the SMILES notation for prop-2-ene-1-sulfinic acid?
The canonical SMILES for prop-2-ene-1-sulfinic acid is C=CCS(=O)O.
What is the InChIKey of prop-2-ene-1-sulfinic acid?
The InChIKey is UZSPFQBPERYLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2S/c1-2-3-6(4)5/h2H,1,3H2,(H,4,5).
What are the key properties of prop-2-ene-1-sulfinic acid?
prop-2-ene-1-sulfinic acid has a molecular weight of 106.15 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ene-1-sulfinic acid is sourced from PubChem (CID 555758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).