prop-2-ene-1,2-disulfonic acid

C3H6O6S2 — CID 87689860

IUPACprop-2-ene-1,2-disulfonic acid
SMILESC=C(CS(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C3H6O6S2/c1-3(11(7,8)9)2-10(4,5)6/h1-2H2,(H,4,5,6)(H,7,8,9)
InChIKeyJYAFNQRVSBTHSN-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.72
Rot. Bonds3

About prop-2-ene-1,2-disulfonic acid

prop-2-ene-1,2-disulfonic acid (PubChem CID 87689860) has the molecular formula C3H6O6S2 and a molecular weight of 202.21 g/mol. Its IUPAC name is prop-2-ene-1,2-disulfonic acid.

Molecular Properties

Compound Nameprop-2-ene-1,2-disulfonic acid
PubChem CID87689860
Molecular FormulaC3H6O6S2
Molecular Weight202.21 g/mol
Exact Mass201.96
IUPAC Nameprop-2-ene-1,2-disulfonic acid
SMILESC=C(CS(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C3H6O6S2/c1-3(11(7,8)9)2-10(4,5)6/h1-2H2,(H,4,5,6)(H,7,8,9)
InChIKeyJYAFNQRVSBTHSN-UHFFFAOYSA-N
XLogP-0.72
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoroprop-2-ene-1-sulfonic acid
CID 87155261
3-aminoprop-1-ene-2-sulfonic acid
CID 87311080
2-bromoprop-2-ene-1-sulfonic acid
CID 175061384
2-methylprop-2-ene-1-sulfonic acid;yttrium
CID 20670845
magnesium;hydride;2-methylprop-2-ene-1-sulfonic acid
CID 174879880
calcium;hydride;2-methylprop-2-ene-1-sulfonic acid
CID 174879873
2-methoxyprop-2-ene-1-sulfonic acid
CID 175208097
2-methylidenepentane-1-sulfonic acid
CID 88537224
sodium 2-carbamoylprop-2-ene-1-sulfonic acid
CID 18763472
CID 87367407
CID 87367407
sodium;2-carbamoylprop-2-ene-1-sulfonic acid;hydride
CID 173229255
2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-ene-1-sulfonic acid
CID 87208629

Frequently Asked Questions

What is the IUPAC name of prop-2-ene-1,2-disulfonic acid?
The IUPAC name of prop-2-ene-1,2-disulfonic acid (CID 87689860) is prop-2-ene-1,2-disulfonic acid.
What is the SMILES notation for prop-2-ene-1,2-disulfonic acid?
The canonical SMILES for prop-2-ene-1,2-disulfonic acid is C=C(CS(=O)(=O)O)S(=O)(=O)O.
What is the InChIKey of prop-2-ene-1,2-disulfonic acid?
The InChIKey is JYAFNQRVSBTHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O6S2/c1-3(11(7,8)9)2-10(4,5)6/h1-2H2,(H,4,5,6)(H,7,8,9).
What are the key properties of prop-2-ene-1,2-disulfonic acid?
prop-2-ene-1,2-disulfonic acid has a molecular weight of 202.21 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ene-1,2-disulfonic acid is sourced from PubChem (CID 87689860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).