methanesulfonic acid;prop-2-enoic acid

C4H8O5S — CID 87706639

IUPACmethanesulfonic acid;prop-2-enoic acid
SMILESC=CC(=O)O.CS(=O)(=O)O
InChIInChI=1S/C3H4O2.CH4O3S/c1-2-3(4)5;1-5(2,3)4/h2H,1H2,(H,4,5);1H3,(H,2,3,4)
InChIKeyLLBAPKIIGXPQIC-UHFFFAOYSA-N
MW168.17 g/mol
LogP-0.24
Rot. Bonds1

About methanesulfonic acid;prop-2-enoic acid

methanesulfonic acid;prop-2-enoic acid (PubChem CID 87706639) has the molecular formula C4H8O5S and a molecular weight of 168.17 g/mol. Its IUPAC name is methanesulfonic acid;prop-2-enoic acid.

Molecular Properties

Compound Namemethanesulfonic acid;prop-2-enoic acid
PubChem CID87706639
Molecular FormulaC4H8O5S
Molecular Weight168.17 g/mol
Exact Mass168.01
IUPAC Namemethanesulfonic acid;prop-2-enoic acid
SMILESC=CC(=O)O.CS(=O)(=O)O
InChIInChI=1S/C3H4O2.CH4O3S/c1-2-3(4)5;1-5(2,3)4/h2H,1H2,(H,4,5);1H3,(H,2,3,4)
InChIKeyLLBAPKIIGXPQIC-UHFFFAOYSA-N
XLogP-0.24
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

ethenol;prop-2-enoic acid;sulfuric acid
CID 87814043
methanol;prop-2-enoic acid
CID 159043362
prop-2-enoic acid;sulfooxy hydrogen sulfate
CID 174946242
methanethiol;prop-2-enoic acid
CID 158379466
bis(prop-1-ene);prop-2-enoic acid
CID 118194844
disilver;bis(prop-2-enoic acid);bromide;chloride
CID 173437465
Acrylic acid potassium salt
CID 87124626
prop-2-enoic acid;hydrochloride
CID 22354205
bis(prop-2-enoic acid);hydrochloride
CID 88811054
CID 87061462
CID 87061462
iron(2+);prop-2-enoic acid
CID 10290804
cerium;bis(prop-2-enoic acid)
CID 169316659

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;prop-2-enoic acid?
The IUPAC name of methanesulfonic acid;prop-2-enoic acid (CID 87706639) is methanesulfonic acid;prop-2-enoic acid.
What is the SMILES notation for methanesulfonic acid;prop-2-enoic acid?
The canonical SMILES for methanesulfonic acid;prop-2-enoic acid is C=CC(=O)O.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;prop-2-enoic acid?
The InChIKey is LLBAPKIIGXPQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.CH4O3S/c1-2-3(4)5;1-5(2,3)4/h2H,1H2,(H,4,5);1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;prop-2-enoic acid?
methanesulfonic acid;prop-2-enoic acid has a molecular weight of 168.17 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;prop-2-enoic acid is sourced from PubChem (CID 87706639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).